Hexasodium 2-[8-amino-7-[[5-[[4-chloro-6-[[3-[[2-(sulfato)ethyl]sulfonyl]phenyl]amino]-1,3,5-triazin-2-yl] Amino]-2 Sulfonatophenyl]azo]-1-hydroxy-3,6-disulfonato-

1,5-Naphthalenedisulfonic acid, 2-[2-[8-amino-7-[2-[5-[[4-chloro-6-[[3-[[2-(sulfooxy)ethyl]sulfonyl]phenyl]amino]-1,3,5-triazin-2-yl]amino]-2-sulfophenyl]diazenyl]-1-hydroxy-3,6-disulfo-2-naphthalenyl]diazenyl]-, sodium salt (1:6)
1,5-Naphthalenedisulfonic acid, 2-[[8-amino-7-[[5-[[4-chloro-6-[[3-[[2-(sulfooxy)ethyl]sulfonyl]phenyl]amino]-1,3,5-triazin-2-yl]amino]-2-sulfophenyl]azo]-1-hydroxy-3,6-disulfo-2-naphthalenyl]azo]-, hexasodium salt
Navy Blue CBF

Property	Value
InChI2D key string chemrof:inchi2d_key_string	CRBABZUVIKGIMW-UHFFFAOYSA-H, CRBABZUVIKGIMW-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string	InChI=1S/C37H29ClN10O22S7.6Na/c38-35-42-36(40-18-3-1-4-20(15-18)71(50,51)12-11-70-77(67,68)69)44-37(43-35)41-19-7-10-26(73(55,56)57)24(16-19)46-47-31-27(74(58,59)60)13-17-14-28(75(61,62)63)32(33(49)29(17)30(31)39)48-45-23-9-8-21-22(34(23)76(64,65)66)5-2-6-25(21)72(52,53)54;;;;;;/h1-10,13-16,49H,11-12,39H2,(H,52,53,54)(H,55,56,57)(H,58,59,60)(H,61,62,63)(H,64,65,66)(H,67,68,69)(H2,40,41,42,43,44);;;;;;/q;6*+1/p-6
IUPAC name chemrof:IUPAC_name	1,5-Naphthalenedisulfonic acid, 2-[2-[8-amino-7-[2-[5-[[4-chloro-6-[[3-[[2-(sulfooxy)ethyl]sulfonyl]phenyl]amino]-1,3,5-triazin-2-yl]amino]-2-sulfophenyl]diazenyl]-1-hydroxy-3,6-disulfo-2-naphthalenyl]diazenyl]-, sodium salt (1:6)
Molecular formula chemrof:molecular_formula	C37H23ClN10Na6O22S7, C37H29ClN10Na6O22S7+6
Molecular mass chemrof:molecular_mass	1357.501, 1363.549
Monoisotopic mass chemrof:monoisotopic_mass	1355.810803, 1361.854461
SMILES string chemrof:smiles_string	Nc1c(N=Nc2cc(Nc3nc(Cl)nc(Nc4cccc(S(=O)(=O)CCOS(=O)(=O)[O-])c4)n3)ccc2S(=O)(=O)[O-])c(S(=O)(=O)[O-])cc2cc(S(=O)(=O)[O-])c(N=Nc3ccc4c(S(=O)(=O)[O-])cccc4c3S(=O)(=O)[O-])c(O)c12.[Na+].[Na+].[Na+].[Na+].[Na+].[Na+]

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=93912-64-2	enrich_references.consensus_cas_link
chem.echa.europa.eu	https://chem.echa.europa.eu/100.131.106	enrich_references.pubchem_identifier_url
comptox.epa.gov	https://comptox.epa.gov/dashboard/DTXSID70920504	enrich_references.pubchem_identifier_url
PubChem	https://pubchem.ncbi.nlm.nih.gov/compound/138395135	enrich_references.pubchem_compound
PubChem	https://pubchem.ncbi.nlm.nih.gov/compound/156025072	enrich_references.pubchem_compound

Flow	Context	Source	Unit	CFs
d06feed8-b021-4556-ac38-b111fafa7df1	Environmental → Air → Aircraft cruise height	EF 3.1	kg	4
3428e5fc-acdc-46eb-b5f7-53d8a85f6e57	Environmental → Air → Ground level → Urban (>1000 people/square mile)	EF 3.1	kg	4
aa72c0fc-67b6-426f-ae11-6544716d0b8e	Environmental → Air → Indoor	EF 3.1	kg	4
1946dc08-6bd0-45b7-bcba-c7716b3c44c3	Environmental → Air → Long-term	EF 3.1	kg	0
0d2ee07c-f3ed-4f52-b415-2e15d79025d4	Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile)	EF 3.1	kg	4
05b830ee-be35-41bb-8ac3-f49bf9796a7c	Environmental → Air → Unknown	EF 3.1	kg	4
61ade711-e9db-44ab-8df5-3b088c52137b	Environmental → Ground → Agricultural	EF 3.1	kg	4
33fba4ab-d97f-4b61-a245-fb424dbee4ed	Environmental → Ground → Non-agricultural	EF 3.1	kg	4
3883575c-cd5f-4b49-bc14-607ce302fbb5	Environmental → Ground → Unknown	EF 3.1	kg	4
8a7cbd9f-6b28-402d-a0e8-1c0c6e876708	Environmental → Water → Long-term	EF 3.1	kg	0
be929c86-c0a8-4023-bb6b-ac9d6efdc197	Environmental → Water → Ocean	EF 3.1	kg	4
1a8e0d8b-cd44-4a68-b20a-c399e75ad33e	Environmental → Water → Surface water	EF 3.1	kg	4
334d83cd-fbc1-4ae2-861b-ef47e02b1abe	Environmental → Water → Unknown	EF 3.1	kg	4

Everything that changed this substance (54 changes)

Open the changes page

Flow object JSON

{
  "flow_object_id": "fo-e5ec905114d5e389",
  "prefLabel": [
    {
      "@value": "Hexasodium 2-[8-amino-7-[[5-[[4-chloro-6-[[3-[[2-(sulfato)ethyl]sulfonyl]phenyl]amino]-1,3,5-triazin-2-yl] Amino]-2 Sulfonatophenyl]azo]-1-hydroxy-3,6-disulfonato-",
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  ],
  "altLabel": [
    {
      "@value": "1,5-Naphthalenedisulfonic acid, 2-[2-[8-amino-7-[2-[5-[[4-chloro-6-[[3-[[2-(sulfooxy)ethyl]sulfonyl]phenyl]amino]-1,3,5-triazin-2-yl]amino]-2-sulfophenyl]diazenyl]-1-hydroxy-3,6-disulfo-2-naphthalenyl]diazenyl]-, sodium salt (1:6)",
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    {
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  "properties": {
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      ],
      "provenance": [
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          ]
        },
        {
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          ]
        }
      ],
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        "Nc1c(N=Nc2cc(Nc3nc(Cl)nc(Nc4cccc(S(=O)(=O)CCOS(=O)(=O)[O-])c4)n3)ccc2S(=O)(=O)[O-])c(S(=O)(=O)[O-])cc2cc(S(=O)(=O)[O-])c(N=Nc3ccc4c(S(=O)(=O)[O-])cccc4c3S(=O)(=O)[O-])c(O)c12.[Na+].[Na+].[Na+].[Na+].[Na+].[Na+]": [
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      "@value": [
        "InChI=1S/C37H29ClN10O22S7.6Na/c38-35-42-36(40-18-3-1-4-20(15-18)71(50,51)12-11-70-77(67,68)69)44-37(43-35)41-19-7-10-26(73(55,56)57)24(16-19)46-47-31-27(74(58,59)60)13-17-14-28(75(61,62)63)32(33(49)29(17)30(31)39)48-45-23-9-8-21-22(34(23)76(64,65)66)5-2-6-25(21)72(52,53)54;;;;;;/h1-10,13-16,49H,11-12,39H2,(H,52,53,54)(H,55,56,57)(H,58,59,60)(H,61,62,63)(H,64,65,66)(H,67,68,69)(H2,40,41,42,43,44);;;;;;/q;6*+1/p-6"
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        },
        {
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          "prov:hadPrimarySource": [
            "Nc1c(N=Nc2cc(Nc3nc(Cl)nc(Nc4cccc(S(=O)(=O)CCOS(=O)(=O)[O-])c4)n3)ccc2S(=O)(=O)[O-])c(S(=O)(=O)[O-])cc2cc(S(=O)(=O)[O-])c(N=Nc3ccc4c(S(=O)(=O)[O-])cccc4c3S(=O)(=O)[O-])c(O)c12.[Na+].[Na+].[Na+].[Na+].[Na+].[Na+]"
          ]
        }
      ],
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        "InChI=1S/C37H29ClN10O22S7.6Na/c38-35-42-36(40-18-3-1-4-20(15-18)71(50,51)12-11-70-77(67,68)69)44-37(43-35)41-19-7-10-26(73(55,56)57)24(16-19)46-47-31-27(74(58,59)60)13-17-14-28(75(61,62)63)32(33(49)29(17)30(31)39)48-45-23-9-8-21-22(34(23)76(64,65)66)5-2-6-25(21)72(52,53)54;;;;;;/h1-10,13-16,49H,11-12,39H2,(H,52,53,54)(H,55,56,57)(H,58,59,60)(H,61,62,63)(H,64,65,66)(H,67,68,69)(H2,40,41,42,43,44);;;;;;/q;6*+1/p-6": [
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        "1,5-Naphthalenedisulfonic acid, 2-[2-[8-amino-7-[2-[5-[[4-chloro-6-[[3-[[2-(sulfooxy)ethyl]sulfonyl]phenyl]amino]-1,3,5-triazin-2-yl]amino]-2-sulfophenyl]diazenyl]-1-hydroxy-3,6-disulfo-2-naphthalenyl]diazenyl]-, sodium salt (1:6)"
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    "https://w3id.org/chemrof/molecular_mass": {
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        {
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      "attested_by": {
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        "1357.501": [
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      },
      "http://qudt.org/schema/qudt/hasUnit": "https://vocab.brightway.one/units/unit/GM-PER-MOL"
    },
    "https://w3id.org/chemrof/monoisotopic_mass": {
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      "provenance": [
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        }
      ],
      "attested_by": {
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        "1355.810803": [
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You do not need to run a build or clone anything. Name the record and say what your evidence is; the measurement is done for you. How contributing works

Hexasodium 2-[8-amino-7-[[5-[[4-chloro-6-[[3-[[2-(sulfato)ethyl]sulfonyl]phenyl]amino]-1,3,5-triazin-2-yl] Amino]-2 Sulfonatophenyl]azo]-1-hydroxy-3,6-disulfonato-

Identity

Structure

Alternative labels

Properties

Known URLs

Elementary flows

History

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