Disodium [5-[[4'-[[2,6-dihydroxy-3-[(2-hydroxy-5-sulphophenyl)azo]phenyl]azo][1,1'-biphenyl]-4-yl]azo]salicylato(4-)]cuprate(2-)

Type: Chemical salt
CAS: 16071-86-6
EC: 240-221-1
Origin: EF 3.1 hybrid_name_cas_v1
Changes: 55 across every transformer

This substance carries 4 candidate structures; the diagram is the first one RDKit could parse, not a settled answer.

Aizen Primula Brown BRLH
Aizen Primula Brown PLH
Amanil Fast Brown BRL
Amanil Supra Brown LBL
Atlantic Fast Brown BRL
Atlantic Resin Fast Brown BRL
Belamine Fast Brown BRLL
Benzanil Supra Brown BRLL
Benzanil Supra Brown BRLN
Benzoic acid, 5-[[4′-[[2,6-dihydroxy-3-[(2-hydroxy-5-sulfophenyl)azo]phenyl]azo][1,1′-biphenyl]-4-yl]azo]-2-hydroxy-, copper complex
Brown 4EMBL
C.I. Direct Brown 95
Calcodur Brown BRL
Chloramine Fast Brown BRL
Chloramine Fast Cutch Brown PL
Chlorantine Fast Brown BRLL
Chrome Leather Brown BRLL
Chrome Leather Brown BRSL
Copper, [dihydrogen 5-[[4′-[[2,6-dihydroxy-3-[(2-hydroxy-5-sulfophenyl)azo]phenyl]azo]-4-biphenylyl]azo]salicylato(2-)]-, disodium salt
Cuprate(2-), [2-hydroxy-5-[2-[4′-[2-[2-(hydroxy-κO)-6-hydroxy-3-[2-[2-(hydroxy-κO)-5-sulfophenyl]diazenyl-κN1]phenyl]diazenyl][1,1′-biphenyl]-4-yl]diazenyl]benzoato(4-)]-, sodium (1:2)
Cuprate(2-), [5-[[4′-[[2,6-dihydroxy-3-[(2-hydroxy-5-sulfophenyl)azo]phenyl]azo][1,1′-biphenyl]-4-yl]azo]-2-hydroxybenzoato(4-)]-, disodium
Cuprate(2-), [5-[[4′-[[2-(hydroxy-κO)-6-hydroxy-3-[[2-(hydroxy-κO)-5-sulfophenyl]azo-κN1]phenyl]azo][1,1′-biphenyl]-4-yl]azo]-2-hydroxybenzoato(4-)]-, disodium
Cuprofix Brown GL
Derma Fast Brown W-GL
Dermafix Brown PL
Dialuminous Brown BRS
Diaphtamine Light Brown BRLL
Diazine Fast Brown RSL
Diazol Light Brown BRN
Dicorel Brown LMR
Diphenyl Fast Brown BRL
Direct Brown 95
Direct Brown BRL
Direct Fast Brown BRL
Direct Fast Brown LMR
Direct Light Brown BRS
Direct Lightfast Brown M
Direct Supra Light Brown ML
Durazol Brown BR
Durofast Brown BRL
Eliamina Light Brown BRL
Enianil Light Brown BRL
Fastolite Brown BRL
Fastusol Brown LBRSA
Fastusol Brown LBRSN
Fenaluz Brown BRL
Helion Brown BRSL
Hispaluz Brown BRL
Kayarus Supra Brown BRS
KCA Light Fast Brown BR
Paranol Fast Brown BRL
Peeramine Fast Brown BRL
Pontamine Fast Brown BRL
Pontamine Fast Brown NP
Pyrazol Fast Brown BRL
Pyrazoline Brown BRL
Saturn Brown LBR
Sirius Supra Brown BR
Sirius Supra Brown BRL
Sirius Supra Brown BRS
Solantine Brown BRL
Solar Brown PL
Solex Brown R
Solius Light Brown BRLL
Solius Light Brown BRS
Sumilight Supra Brown BRS
Suprazo Brown BRL
Suprexcel Brown BRL
Tertrodirect Fast Brown BR
Tetramine Fast Brown BRDN Extra
Tetramine Fast Brown BRP
Tetramine Fast Brown BRS
Triantine Brown BRS
Triantine Fast Brown OG
Triantine Fast Brown OR
Triantine Light Brown BRS
Triantine Light Brown OG
Vopsider Brown DLMR

Property	Value
InChI2D key string chemrof:inchi2d_key_string	HZBTZQVWJPRVDN-UHFFFAOYSA-J
InChI2D string chemrof:inchi2d_string	InChI=1S/C31H22N6O9S.Cu.2Na/c38-26-12-9-21(15-23(26)31(42)43)34-32-19-5-1-17(2-6-19)18-3-7-20(8-4-18)33-37-29-28(40)14-11-24(30(29)41)35-36-25-16-22(47(44,45)46)10-13-27(25)39;;;/h1-16,38-41H,(H,42,43)(H,44,45,46);;;/q;+2;2*+1/p-4
IUPAC name chemrof:IUPAC_name	copper;disodium;2-[4-[4-(3-carboxy-4-oxido-phenyl)azophenyl]phenyl]azo-4-(2-oxido-5-sulfo-phenyl)azo-benzene-1,3-diolate, copper;disodium;2-[4-[4-(3-carboxy-4-oxidophenyl)azophenyl]phenyl]azo-4-(2-oxido-5-sulfophenyl)azobenzene-1,3-diolate, copper;disodium;2-[[4-[4-[(3-carboxy-4-oxidanidyl-phenyl)diazenyl]phenyl]phenyl]diazenyl]-4-[(2-oxidanidyl-5-sulfo-phenyl)diazenyl]benzene-1,3-diolate, copper;disodium;2-[[4-[4-[(3-carboxy-4-oxidophenyl)diazenyl]phenyl]phenyl]diazenyl]-4-[(2-oxido-5-sulfophenyl)diazenyl]benzene-1,3-diolate, copper;disodium;2-hydroxy-5-[4-[4-[6-hydroxy-2-oxido-3-(2-oxido-5-sulfonato-phenyl)azo-phenyl]azophenyl]phenyl]azo-benzoate, copper;disodium;2-hydroxy-5-[4-[4-[6-hydroxy-2-oxido-3-(2-oxido-5-sulfonatophenyl)azophenyl]azophenyl]phenyl]azobenzoate, copper;disodium;2-hydroxy-5-[[4-[4-[[6-hydroxy-2-oxido-3-[(2-oxido-5-sulfonatophenyl)diazenyl]phenyl]diazenyl]phenyl]phenyl]diazenyl]benzoate, copper;disodium;3-[3-[4-[4-(3-carboxy-4-oxido-phenyl)azophenyl]phenyl]azo-4-hydroxy-2-oxido-phenyl]azo-4-oxido-benzenesulfonate, copper;disodium;3-[3-[4-[4-(3-carboxy-4-oxidophenyl)azophenyl]phenyl]azo-4-hydroxy-2-oxidophenyl]azo-4-oxidobenzenesulfonate, copper;disodium;3-[[3-[[4-[4-[(3-carboxy-4-oxidanidyl-phenyl)diazenyl]phenyl]phenyl]diazenyl]-2-oxidanidyl-4-oxidanyl-phenyl]diazenyl]-4-oxidanidyl-benzenesulfonate, copper;disodium;3-[[3-[[4-[4-[(3-carboxy-4-oxidophenyl)diazenyl]phenyl]phenyl]diazenyl]-4-hydroxy-2-oxidophenyl]diazenyl]-4-oxidobenzenesulfonate, copper;disodium;5-[4-[4-[2,6-dioxido-3-(2-oxido-5-sulfonato-phenyl)azo-phenyl]azophenyl]phenyl]azo-2-oxido-benzoate;hydron, copper;disodium;5-[4-[4-[2,6-dioxido-3-(2-oxido-5-sulfonatophenyl)azophenyl]azophenyl]phenyl]azo-2-oxidobenzoate;hydron, copper;disodium;5-[[4-[4-[[2,6-bis(oxidanidyl)-3-[(2-oxidanidyl-5-sulfonato-phenyl)diazenyl]phenyl]diazenyl]phenyl]phenyl]diazenyl]-2-oxidanidyl-benzoate;hydron, copper;disodium;5-[[4-[4-[[2,6-dioxido-3-[(2-oxido-5-sulfonatophenyl)diazenyl]phenyl]diazenyl]phenyl]phenyl]diazenyl]-2-oxidobenzoate;hydron, copper;disodium;5-[[4-[4-[[2-oxidanidyl-3-[(2-oxidanidyl-5-sulfonato-phenyl)diazenyl]-6-oxidanyl-phenyl]diazenyl]phenyl]phenyl]diazenyl]-2-oxidanyl-benzoate, cupric;disodium;2-[4-[4-(3-carboxy-4-oxido-phenyl)azophenyl]phenyl]azo-4-(2-oxido-5-sulfo-phenyl)azo-benzene-1,3-diolate, cupric;disodium;2-hydroxy-5-[4-[4-[6-hydroxy-2-oxido-3-(2-oxido-5-sulfonato-phenyl)azo-phenyl]azophenyl]phenyl]azo-benzoate, cupric;disodium;3-[3-[4-[4-(3-carboxy-4-oxido-phenyl)azophenyl]phenyl]azo-4-hydroxy-2-oxido-phenyl]azo-4-oxido-besylate, cupric;disodium;5-[4-[4-[2,6-dioxido-3-(2-oxido-5-sulfonato-phenyl)azo-phenyl]azophenyl]phenyl]azo-2-oxido-benzoate;hydron
Molecular formula chemrof:molecular_formula	C31H18CuN6Na2O9S
Molecular mass chemrof:molecular_mass	760.111
Monoisotopic mass chemrof:monoisotopic_mass	758.994733
SMILES string chemrof:smiles_string	C1=CC(=CC=C1C2=CC=C(C=C2)N=NC3=C(C=CC(=C3[O-])N=NC4=C(C=CC(=C4)S(=O)(=O)O)[O-])[O-])N=NC5=CC(=C(C=C5)[O-])C(=O)O.[Na+].[Na+].[Cu+2], C1=CC(=CC=C1C2=CC=C(C=C2)N=NC3=C(C=CC(=C3[O-])N=NC4=C(C=CC(=C4)S(=O)(=O)[O-])[O-])O)N=NC5=CC(=C(C=C5)O)C(=O)[O-].[Na+].[Na+].[Cu+2], C1=CC(=CC=C1C2=CC=C(C=C2)N=NC3=C(C=CC(=C3[O-])N=NC4=C(C=CC(=C4)S(=O)(=O)[O-])[O-])O)N=NC5=CC(=C(C=C5)[O-])C(=O)O.[Na+].[Na+].[Cu+2], [H+].[H+].C1=CC(=CC=C1C2=CC=C(C=C2)N=NC3=C(C=CC(=C3[O-])N=NC4=C(C=CC(=C4)S(=O)(=O)[O-])[O-])[O-])N=NC5=CC(=C(C=C5)[O-])C(=O)[O-].[Na+].[Na+].[Cu+2]

Where else this substance is described. Collected while the pipeline resolved it — from ChEBI's cross-references, from PubChem's identifier list, and from the CAS number — so a link here is a record the merge actually read, not a search it suggests.

Resource	URL	Recorded by
CAS Common Chemistry	https://commonchemistry.cas.org/detail?cas_rn=16071-86-6	enrich_references.consensus_cas_link
comptox.epa.gov	https://comptox.epa.gov/dashboard/DTXSID3020201	enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov	https://gsrs.ncats.nih.gov/ginas/app/beta/substances/47250W6X0H	enrich_references.pubchem_identifier_url
ncithesaurus.nci.nih.gov	https://ncithesaurus.nci.nih.gov/ncitbrowser/ConceptReport.jsp?dictionary=NCI_Thesaurus&ns=ncit&code=C45534	enrich_references.pubchem_identifier_url
PubChem	https://pubchem.ncbi.nlm.nih.gov/compound/135585372	enrich_references.pubchem_compound
PubChem	https://pubchem.ncbi.nlm.nih.gov/compound/137183219	enrich_references.pubchem_compound
PubChem	https://pubchem.ncbi.nlm.nih.gov/compound/176448423	enrich_references.pubchem_compound
PubChem	https://pubchem.ncbi.nlm.nih.gov/compound/76961761	enrich_references.pubchem_compound
wikidata.org	https://www.wikidata.org/wiki/Q126607332	enrich_references.pubchem_identifier_url

Flow	Context	Source	Unit	CFs
ad1aac35-e5e1-406e-9a8c-3b13b2e9398b	Environmental → Air → Aircraft cruise height	EF 3.1	kg	2
8d804e2c-daec-4341-85c0-254a7072911f	Environmental → Air → Ground level → Urban (>1000 people/square mile)	EF 3.1	kg	2
2a208d0e-07de-44f5-9cc4-fa942b4dbf9b	Environmental → Air → Indoor	EF 3.1	kg	2
f85c41aa-290d-44c3-ad25-6cbaed4d9f9b	Environmental → Air → Long-term	EF 3.1	kg	0
a8945e33-38ff-44d1-91fd-27c2b8621c65	Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile)	EF 3.1	kg	2
83726de5-692b-488b-8b16-055e35317e36	Environmental → Air → Unknown	EF 3.1	kg	2
e224bf8c-a6bc-453c-b036-41b37358a8e5	Environmental → Ground → Agricultural	EF 3.1	kg	2
97b829d5-b2ca-4a41-8417-93a7b79c170c	Environmental → Ground → Non-agricultural	EF 3.1	kg	2
ea723216-5d35-43c1-8b91-1642972a1eb4	Environmental → Ground → Unknown	EF 3.1	kg	2
959731f5-4630-4a07-b446-ee35b2f30c60	Environmental → Water → Long-term	EF 3.1	kg	0
4bbfaf9b-cbd7-42e2-9c05-e184a768cb05	Environmental → Water → Ocean	EF 3.1	kg	2
483b0c4f-d0fa-4dad-af08-159e205014c2	Environmental → Water → Surface water	EF 3.1	kg	2
e42fca38-284e-4950-835b-4c2bcc7276d2	Environmental → Water → Unknown	EF 3.1	kg	2

Everything that changed this substance (55 changes)

Open the changes page

Flow object JSON

{
  "flow_object_id": "fo-77a9b644759336ea",
  "prefLabel": [
    {
      "@value": "Disodium [5-[[4'-[[2,6-dihydroxy-3-[(2-hydroxy-5-sulphophenyl)azo]phenyl]azo][1,1'-biphenyl]-4-yl]azo]salicylato(4-)]cuprate(2-)",
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  "altLabel": [
    {
      "@value": "Aizen Primula Brown BRLH",
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    {
      "@value": "Aizen Primula Brown PLH",
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      }
    },
    {
      "@value": "Amanil Fast Brown BRL",
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    {
      "@value": "Amanil Supra Brown LBL",
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Atlantic Fast Brown BRL",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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    },
    {
      "@value": "Atlantic Resin Fast Brown BRL",
      "@language": "en",
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        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Belamine Fast Brown BRLL",
      "@language": "en",
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      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Benzanil Supra Brown BRLL",
      "@language": "en",
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      "provenance": {
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        "prov:wasAttributedTo": "consensus-flow-list",
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        ],
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    },
    {
      "@value": "Benzanil Supra Brown BRLN",
      "@language": "en",
      "@lang": "en",
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        "prov:wasAttributedTo": "consensus-flow-list",
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          "EF 3.1",
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Benzoic acid, 5-[[4′-[[2,6-dihydroxy-3-[(2-hydroxy-5-sulfophenyl)azo]phenyl]azo][1,1′-biphenyl]-4-yl]azo]-2-hydroxy-, copper complex",
      "@language": "en",
      "@lang": "en",
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          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=16071-86-6"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Brown 4EMBL",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
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          "CAS:16071-86-6",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=16071-86-6"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "C.I. Direct Brown 95",
      "@language": "en",
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          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=16071-86-6"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Calcodur Brown BRL",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        "prov:wasAttributedTo": "consensus-flow-list",
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          "EF 3.1",
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Chloramine Fast Brown BRL",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
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          "EF 3.1",
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Chloramine Fast Cutch Brown PL",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:16071-86-6",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=16071-86-6"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Chlorantine Fast Brown BRLL",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
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          "EF 3.1",
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Chrome Leather Brown BRLL",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
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          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=16071-86-6"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Chrome Leather Brown BRSL",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
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          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=16071-86-6"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Copper, [dihydrogen 5-[[4′-[[2,6-dihydroxy-3-[(2-hydroxy-5-sulfophenyl)azo]phenyl]azo]-4-biphenylyl]azo]salicylato(2-)]-, disodium salt",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
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          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=16071-86-6"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Cuprate(2-), [2-hydroxy-5-[2-[4′-[2-[2-(hydroxy-κO)-6-hydroxy-3-[2-[2-(hydroxy-κO)-5-sulfophenyl]diazenyl-κN1]phenyl]diazenyl][1,1′-biphenyl]-4-yl]diazenyl]benzoato(4-)]-, sodium (1:2)",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:16071-86-6",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=16071-86-6"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Cuprate(2-), [5-[[4′-[[2,6-dihydroxy-3-[(2-hydroxy-5-sulfophenyl)azo]phenyl]azo][1,1′-biphenyl]-4-yl]azo]-2-hydroxybenzoato(4-)]-, disodium",
      "@language": "en",
      "@lang": "en",
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Disodium [5-[[4'-[[2,6-dihydroxy-3-[(2-hydroxy-5-sulphophenyl)azo]phenyl]azo][1,1'-biphenyl]-4-yl]azo]salicylato(4-)]cuprate(2-)

Identity

Structure

Alternative labels

Properties

Known URLs

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