Consensus flow list

Sodium 2-({2-amino-8-hydroxy-6-[(2-methylphenyl)sulfamoyl]-1-naphthyl}diazenyl)-5-[(chloroacetyl)amino]benzenesulfonate

fo-ff0eefa3d17ae42f

Identity

Type
ChemicalSalt
CAS
70209-97-1
EC
274-395-5
Origin
EF 3.1 hybrid_name_cas_v1
Changes
54 across every transformer

Structure

Structure diagram for Sodium 2-({2-amino-8-hydroxy-6-[(2-methylphenyl)sulfamoyl]-1-naphthyl}diazenyl)-5-[(chloroacetyl)amino]benzenesulfonate

Alternative labels

2

Properties

PropertyValue
InChI2D key string chemrof:inchi2d_key_string QDXJCWRXWUFFQE-UHFFFAOYSA-M
InChI2D string chemrof:inchi2d_string InChI=1S/C25H22ClN5O7S2.Na/c1-31(17-5-3-2-4-6-17)39(34,35)18-11-15-7-9-19(27)25(24(15)21(32)13-18)30-29-20-10-8-16(28-23(33)14-26)12-22(20)40(36,37)38;/h2-13,32H,14,27H2,1H3,(H,28,33)(H,36,37,38);/q;+1/p-1
IUPAC name chemrof:IUPAC_name Benzenesulfonic acid, 2-[2-[2-amino-8-hydroxy-6-[(methylphenylamino)sulfonyl]-1-naphthalenyl]diazenyl]-5-[(2-chloroacetyl)amino]-, sodium salt (1:1)
Molecular formula chemrof:molecular_formula C25H21ClN5NaO7S2
Molecular mass chemrof:molecular_mass 626.048
Monoisotopic mass chemrof:monoisotopic_mass 625.046862
SMILES string chemrof:smiles_string CN(c1ccccc1)S(=O)(=O)c1cc(O)c2c(N=Nc3ccc(NC(=O)CCl)cc3S(=O)(=O)[O-])c(N)ccc2c1.[Na+]

Known URLs

5

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=70209-97-1 enrich_references.consensus_cas_link
chem.echa.europa.eu https://chem.echa.europa.eu/100.067.610 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID60887536 enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/135764930 enrich_references.pubchem_compound
wikidata.org https://www.wikidata.org/wiki/Q82866715 enrich_references.pubchem_identifier_url

Elementary flows

13
Flow Context Source Unit CFs
60f0869c-c4b5-4a2a-b5e6-fc3570acfbab Environmental → Air → Aircraft cruise height EF 3.1 kg 2
761723b7-a64a-4b5c-8be8-c6780a0946bf Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 2
9c875141-0837-401c-8750-d64f5b79eed5 Environmental → Air → Indoor EF 3.1 kg 2
b6c376bf-ace4-4ccd-8879-7e370fff3099 Environmental → Air → Long-term EF 3.1 kg 0
112aaef5-4ddf-40aa-acd7-f4006f9f6bd0 Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 2
94827faa-99c4-469b-a067-1ed8ba40d297 Environmental → Air → Unknown EF 3.1 kg 2
9c6b7b5b-d44e-422e-95cc-2c9f22290baf Environmental → Ground → Agricultural EF 3.1 kg 2
3ac410f3-2cd8-4b26-ae5a-46d8a4fd2ccd Environmental → Ground → Non-agricultural EF 3.1 kg 2
008ed51e-eacc-45f9-80b9-fbc8474a9c24 Environmental → Ground → Unknown EF 3.1 kg 2
58a0d587-3fd5-4bbf-98fb-8a1c46e2a013 Environmental → Water → Long-term EF 3.1 kg 0
feb93f04-2bc0-4af7-be55-8fdc6a059e01 Environmental → Water → Ocean EF 3.1 kg 2
9c68a626-17b9-44b0-98a8-a6d7e3082345 Environmental → Water → Surface water EF 3.1 kg 2
1d3d90e8-aaca-4d1f-bfd9-8f7c1ac91e68 Environmental → Water → Unknown EF 3.1 kg 2

History

Everything that changed this substance (54 changes)

Open the changes page

Full record

Flow object JSON 
{
  "flow_object_id": "fo-ff0eefa3d17ae42f",
  "prefLabel": [
    {
      "@value": "Sodium 2-({2-amino-8-hydroxy-6-[(2-methylphenyl)sulfamoyl]-1-naphthyl}diazenyl)-5-[(chloroacetyl)amino]benzenesulfonate",
      "@language": "en",
      "@lang": "en",
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  ],
  "altLabel": [
    {
      "@value": "Benzenesulfonic acid, 2-[2-[2-amino-8-hydroxy-6-[(methylphenylamino)sulfonyl]-1-naphthalenyl]diazenyl]-5-[(2-chloroacetyl)amino]-, sodium salt (1:1)",
      "@language": "en",
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      }
    },
    {
      "@value": "Benzenesulfonic acid, 2-[[2-amino-8-hydroxy-6-[(methylphenylamino)sulfonyl]-1-naphthalenyl]azo]-5-[(chloroacetyl)amino]-, monosodium salt",
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  "properties": {
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      "@value": [
        "C25H21ClN5NaO7S2"
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        "Benzenesulfonic acid, 2-[2-[2-amino-8-hydroxy-6-[(methylphenylamino)sulfonyl]-1-naphthalenyl]diazenyl]-5-[(2-chloroacetyl)amino]-, sodium salt (1:1)"
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      "attested_by": {
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    "https://w3id.org/chemrof/molecular_mass": {
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      "provenance": [
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    "https://w3id.org/chemrof/monoisotopic_mass": {
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}

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