Consensus flow list

Identity

Type
Chemical salt
CAS
124605-82-9
EC
408-210-8
Origin
EF 3.1 hybrid_name_cas_v1
Changes
54 across every transformer

Structure

Structure diagram for Tetra-sodium/lithium 4,4'-bis-(8-amino-3,6-disulfonato-1-naphthol-2-ylazo)-2-methylazobenzene

Alternative labels

2

Properties

PropertyValue
InChI2D key string chemrof:inchi2d_key_string DLNIVGKCMNJVJK-VVOGLQFISA-J, SQXJDHBBDVPKHN-UHFFFAOYSA-J, WBIJGCJSDOBBRE-UHFFFAOYSA-L
InChI2D string chemrof:inchi2d_string InChI=1S/C33H26N8O14S4.Li.Na/c1-15-8-20(38-41-31-27(59(53,54)55)12-17-10-22(57(47,48)49)14-24(35)29(17)33(31)43)6-7-25(15)39-36-18-2-4-19(5-3-18)37-40-30-26(58(50,51)52)11-16-9-21(56(44,45)46)13-23(34)28(16)32(30)42;;/h2-14,42-43H,34-35H2,1H3,(H,44,45,46)(H,47,48,49)(H,50,51,52)(H,53,54,55);;/q;2*+1/p-2
IUPAC name chemrof:IUPAC_name 2,7-Naphthalenedisulfonic acid, 5-amino-3-[2-[4-[2-[4-[2-(8-amino-1-hydroxy-3,6-disulfo-2-naphthalenyl)diazenyl]-2-methylphenyl]diazenyl]phenyl]diazenyl]-4-hydroxy-, lithium sodium salt (1:?:?)
Molecular formula chemrof:molecular_formula C33H22Li4N8Na16O14S4, C33H24LiN8NaO14S4
SMILES string chemrof:smiles_string Cc1cc(N=Nc2c(S(=O)(=O)[O-])cc3cc(S(=O)(=O)[O-])cc(N)c3c2O)ccc1N=Nc1ccc(N=Nc2c(S(=O)(=O)O)cc3cc(S(=O)(=O)O)cc(N)c3c2O)cc1.[Li+].[Na+]

Known URLs

3

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=124605-82-9 enrich_references.consensus_cas_link
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/102601870 enrich_references.pubchem_compound
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/137316753 enrich_references.pubchem_compound

Elementary flows

13
Flow Context Source Unit CFs
7295ac47-2ef9-4f9d-81a0-654785ea7577 Environmental → Air → Aircraft cruise height EF 3.1 kg 4
c87eaeac-75b4-4018-86c0-95a92c57902c Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 4
76134b70-e626-40d6-a24f-cb60418d1545 Environmental → Air → Indoor EF 3.1 kg 4
7578ac0c-f750-4b37-88b2-b90ec4706ab7 Environmental → Air → Long-term EF 3.1 kg 0
66a9aad7-8a62-4721-b3cc-b66cafbdf14a Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 4
a0725586-be3e-4cc9-8e4b-dea7ecabebb6 Environmental → Air → Unknown EF 3.1 kg 4
4006cb94-0b70-46d2-8f60-ed534e8dfe21 Environmental → Ground → Agricultural EF 3.1 kg 4
3befc6c6-82de-425c-b94e-04b8a21a6608 Environmental → Ground → Non-agricultural EF 3.1 kg 4
34e4520b-0bbf-4d0f-8cb7-82e0103fdfb2 Environmental → Ground → Unknown EF 3.1 kg 4
ce76848b-d7c8-4867-a491-733d66773cf0 Environmental → Water → Long-term EF 3.1 kg 0
54c4cdc0-fca4-4de2-8888-213d9bcb5aaf Environmental → Water → Ocean EF 3.1 kg 4
cf0f7637-575c-4db4-b89a-dd97b439c516 Environmental → Water → Surface water EF 3.1 kg 4
d7dd01df-d284-49c0-9137-f91acfe96fbf Environmental → Water → Unknown EF 3.1 kg 4

History

Everything that changed this substance (54 changes)

Open the changes page

Full record

Flow object JSON
{
  "flow_object_id": "fo-4b5943a0a871cd54",
  "prefLabel": [
    {
      "@value": "Tetra-sodium/lithium 4,4'-bis-(8-amino-3,6-disulfonato-1-naphthol-2-ylazo)-2-methylazobenzene",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "EF 3.1"
        ],
        "prov:wasDerivedFrom": "legacy name field"
      }
    }
  ],
  "altLabel": [
    {
      "@value": "2,7-Naphthalenedisulfonic acid, 5-amino-3-[2-[4-[2-[4-[2-(8-amino-1-hydroxy-3,6-disulfo-2-naphthalenyl)diazenyl]-2-methylphenyl]diazenyl]phenyl]diazenyl]-4-hydroxy-, lithium sodium salt (1:?:?)",
      "@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=124605-82-9"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "2,7-Naphthalenedisulfonic acid, 5-amino-3-[[4-[[4-[(8-amino-1-hydroxy-3,6-disulfo-2-naphthalenyl)azo]-2-methylphenyl]azo]phenyl]azo]-4-hydroxy-, lithium sodium 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=124605-82-9"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    }
  ],
  "properties": {
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      "@value": [
        "C33H22Li4N8Na16O14S4",
        "C33H24LiN8NaO14S4"
      ],
      "attested_by": {
        "C33H22Li4N8Na16O14S4": [
          "enrich_references.pubchem_semantic"
        ],
        "C33H24LiN8NaO14S4": [
          "rdkit_post_consensus"
        ]
      },
      "rdfs:label": "Molecular formula",
      "provenance": [
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          "prov:wasDerivedFrom": "pubchem.props.Molecular Formula"
        },
        {
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            "Cc1cc(N=Nc2c(S(=O)(=O)[O-])cc3cc(S(=O)(=O)[O-])cc(N)c3c2O)ccc1N=Nc1ccc(N=Nc2c(S(=O)(=O)O)cc3cc(S(=O)(=O)O)cc(N)c3c2O)cc1.[Li+].[Na+]"
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        "WBIJGCJSDOBBRE-UHFFFAOYSA-L": [
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      },
      "rdfs:label": "InChIKey",
      "provenance": [
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        {
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            "Cc1cc(N=Nc2c(S(=O)(=O)[O-])cc3cc(S(=O)(=O)[O-])cc(N)c3c2O)ccc1N=Nc1ccc(N=Nc2c(S(=O)(=O)O)cc3cc(S(=O)(=O)O)cc(N)c3c2O)cc1.[Li+].[Na+]"
          ]
        }
      ]
    },
    "https://w3id.org/chemrof/smiles_string": {
      "@id": "https://w3id.org/chemrof/smiles_string",
      "rdfs:label": "SMILES",
      "@value": [
        "Cc1cc(N=Nc2c(S(=O)(=O)[O-])cc3cc(S(=O)(=O)[O-])cc(N)c3c2O)ccc1N=Nc1ccc(N=Nc2c(S(=O)(=O)O)cc3cc(S(=O)(=O)O)cc(N)c3c2O)cc1.[Li+].[Na+]"
      ],
      "provenance": [
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          ]
        },
        {
          "prov:wasGeneratedBy": "rdkit_post_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "Cc1cc(N=Nc2c(S(=O)(=O)[O-])cc3cc(S(=O)(=O)[O-])cc(N)c3c2O)ccc1N=Nc1ccc(N=Nc2c(S(=O)(=O)O)cc3cc(S(=O)(=O)O)cc(N)c3c2O)cc1.[Li+].[Na+]"
          ]
        }
      ],
      "attested_by": {
        "Cc1cc(N=Nc2c(S(=O)(=O)[O-])cc3cc(S(=O)(=O)[O-])cc(N)c3c2O)ccc1N=Nc1ccc(N=Nc2c(S(=O)(=O)O)cc3cc(S(=O)(=O)O)cc(N)c3c2O)cc1.[Li+].[Na+]": [
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    },
    "https://w3id.org/chemrof/inchi2d_string": {
      "@id": "https://w3id.org/chemrof/inchi2d_string",
      "rdfs:label": "InChI",
      "@value": [
        "InChI=1S/C33H26N8O14S4.Li.Na/c1-15-8-20(38-41-31-27(59(53,54)55)12-17-10-22(57(47,48)49)14-24(35)29(17)33(31)43)6-7-25(15)39-36-18-2-4-19(5-3-18)37-40-30-26(58(50,51)52)11-16-9-21(56(44,45)46)13-23(34)28(16)32(30)42;;/h2-14,42-43H,34-35H2,1H3,(H,44,45,46)(H,47,48,49)(H,50,51,52)(H,53,54,55);;/q;2*+1/p-2"
      ],
      "provenance": [
        {
          "prov:wasGeneratedBy": "opsin_iupac",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "2,7-Naphthalenedisulfonic acid, 5-amino-3-[2-[4-[2-[4-[2-(8-amino-1-hydroxy-3,6-disulfo-2-naphthalenyl)diazenyl]-2-methylphenyl]diazenyl]phenyl]diazenyl]-4-hydroxy-, lithium sodium salt (1:?:?)"
          ]
        },
        {
          "prov:wasGeneratedBy": "rdkit_post_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "Cc1cc(N=Nc2c(S(=O)(=O)[O-])cc3cc(S(=O)(=O)[O-])cc(N)c3c2O)ccc1N=Nc1ccc(N=Nc2c(S(=O)(=O)O)cc3cc(S(=O)(=O)O)cc(N)c3c2O)cc1.[Li+].[Na+]"
          ]
        }
      ],
      "attested_by": {
        "InChI=1S/C33H26N8O14S4.Li.Na/c1-15-8-20(38-41-31-27(59(53,54)55)12-17-10-22(57(47,48)49)14-24(35)29(17)33(31)43)6-7-25(15)39-36-18-2-4-19(5-3-18)37-40-30-26(58(50,51)52)11-16-9-21(56(44,45)46)13-23(34)28(16)32(30)42;;/h2-14,42-43H,34-35H2,1H3,(H,44,45,46)(H,47,48,49)(H,50,51,52)(H,53,54,55);;/q;2*+1/p-2": [
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        ]
      }
    },
    "https://w3id.org/chemrof/IUPAC_name": {
      "@id": "https://w3id.org/chemrof/IUPAC_name",
      "rdfs:label": "IUPAC name",
      "@value": [
        "2,7-Naphthalenedisulfonic acid, 5-amino-3-[2-[4-[2-[4-[2-(8-amino-1-hydroxy-3,6-disulfo-2-naphthalenyl)diazenyl]-2-methylphenyl]diazenyl]phenyl]diazenyl]-4-hydroxy-, lithium sodium salt (1:?:?)"
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      "attested_by": {
        "2,7-Naphthalenedisulfonic acid, 5-amino-3-[2-[4-[2-[4-[2-(8-amino-1-hydroxy-3,6-disulfo-2-naphthalenyl)diazenyl]-2-methylphenyl]diazenyl]phenyl]diazenyl]-4-hydroxy-, lithium sodium salt (1:?:?)": [
          "opsin_iupac"
        ]
      }
    }
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  ],
  "created_from": {
    "resolver": "hybrid_name_cas_v1",
    "seed_uuid": "34e4520b-0bbf-4d0f-8cb7-82e0103fdfb2",
    "seed_source": "EF 3.1",
    "semantic_typing": {
      "rule": "multi_component_ionic",
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  },
  "classifications": {
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  "origin_qualifier": null,
  "parent_flow_object_id": null,
  "parent_intervention_id": null,
  "@type": [
    "https://w3id.org/chemrof/ChemicalSalt"
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}

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