Consensus flow list

Identity

Type
Chemical salt
CAS
100556-82-9
EC
695-988-9
Origin
EF 3.1 hybrid_name_cas_v1
Changes
54 across every transformer

Structure

Structure diagram for Disodium 4-amino-3,6-bis({2-[4-(ethenesulfonyl)phenyl]diazen-1-yl})-5-hydroxynaphthalene-2,7-disulfonate

Alternative labels

2

Properties

PropertyValue
InChI2D key string chemrof:inchi2d_key_string LVDIFTBPAJIROS-UHFFFAOYSA-L, PEEIXUITMMYOSE-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C26H21N5O11S4.2Na/c1-3-43(33,34)18-9-5-16(6-10-18)28-30-24-20(45(37,38)39)13-15-14-21(46(40,41)42)25(26(32)22(15)23(24)27)31-29-17-7-11-19(12-8-17)44(35,36)4-2;;/h3-14,32H,1-2,27H2,(H,37,38,39)(H,40,41,42);;/q;2*+1/p-2
IUPAC name chemrof:IUPAC_name Disodium 4-amino-3,6-bis({2-[4-(ethenesulfonyl)phenyl]diazen-1-yl})-5-hydroxynaphthalene-2,7-disulfonate
Molecular formula chemrof:molecular_formula C26H19N5Na2O11S4, C26H21N5Na2O11S4
SMILES string chemrof:smiles_string C=CS(=O)(=O)c1ccc(N=Nc2c(S(=O)(=O)[O-])cc3cc(S(=O)(=O)[O-])c(N=Nc4ccc(S(=O)(=O)C=C)cc4)c(O)c3c2N)cc1.[Na+].[Na+]

Known URLs

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=100556-82-9 enrich_references.consensus_cas_link
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/171036809 enrich_references.pubchem_compound

Elementary flows

13
Flow Context Source Unit CFs
7ffbfbff-4de4-4e3b-af18-352807d085bc Environmental → Air → Aircraft cruise height EF 3.1 kg 4
4000e13c-78a8-4f3e-8522-e570ef01b643 Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 4
2a02de8a-c1f2-4efc-bc34-28fa58c460da Environmental → Air → Indoor EF 3.1 kg 4
903ad509-e84f-423f-9b76-601584a6072b Environmental → Air → Long-term EF 3.1 kg 0
d2c19248-7e7c-4420-8463-d266c05c6dd3 Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 4
f2aa44a4-5e92-4fa8-86f5-7a8305711a26 Environmental → Air → Unknown EF 3.1 kg 4
98c72d7a-c5d4-4bdc-8327-da0fe5b200d4 Environmental → Ground → Agricultural EF 3.1 kg 4
d92b737d-f9f6-4635-81d4-e176bf61a0bb Environmental → Ground → Non-agricultural EF 3.1 kg 4
a7ec27c8-19f9-4e98-8c81-04f71f289da6 Environmental → Ground → Unknown EF 3.1 kg 4
34f48fa9-9457-4cbb-a283-937d4a265bb2 Environmental → Water → Long-term EF 3.1 kg 0
574ab1ea-25ff-4774-aa8e-f9329cfda179 Environmental → Water → Ocean EF 3.1 kg 4
d5226934-34ae-48f4-9d02-8b8eb0b25d6d Environmental → Water → Surface water EF 3.1 kg 4
e306b423-c967-4cdb-8c33-0aeda6cd8e78 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-cf0d4e0548aa7e5b",
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      "@language": "en",
      "@lang": "en",
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    }
  ],
  "altLabel": [
    {
      "@value": "2,7-Naphthalenedisulfonic acid, 4-amino-3,6-bis[2-[4-(ethenylsulfonyl)phenyl]diazenyl]-5-hydroxy-, sodium salt (1:2)",
      "@language": "en",
      "@lang": "en",
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "2,7-Naphthalenedisulfonic acid, 4-amino-3,6-bis[[4-(ethenylsulfonyl)phenyl]azo]-5-hydroxy-, disodium salt",
      "@language": "en",
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  "properties": {
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        "C26H19N5Na2O11S4",
        "C26H21N5Na2O11S4"
      ],
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        ]
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      "rdfs:label": "Molecular formula",
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    },
    "https://w3id.org/chemrof/smiles_string": {
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        "C=CS(=O)(=O)c1ccc(N=Nc2c(S(=O)(=O)[O-])cc3cc(S(=O)(=O)[O-])c(N=Nc4ccc(S(=O)(=O)C=C)cc4)c(O)c3c2N)cc1.[Na+].[Na+]": [
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      "rdfs:label": "InChI",
      "@value": [
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        }
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      "attested_by": {
        "InChI=1S/C26H21N5O11S4.2Na/c1-3-43(33,34)18-9-5-16(6-10-18)28-30-24-20(45(37,38)39)13-15-14-21(46(40,41)42)25(26(32)22(15)23(24)27)31-29-17-7-11-19(12-8-17)44(35,36)4-2;;/h3-14,32H,1-2,27H2,(H,37,38,39)(H,40,41,42);;/q;2*+1/p-2": [
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    },
    "https://w3id.org/chemrof/IUPAC_name": {
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  "parent_flow_object_id": null,
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  "@type": [
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}

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