Consensus flow list

Identity

Type
NeutralMolecule
CAS
81-11-8
EC
201-325-2
Origin
EF 3.1 hybrid_name_cas_v1
Changes
55 across every transformer

Structure

Structure diagram for 2,2'-ethene-1,2-diylbis(5-aminobenzenesulfonic Acid)

Alternative labels

12

Properties

PropertyValue
InChI2D key string chemrof:inchi2d_key_string REJHVSOVQBJEBF-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C14H14N2O6S2/c15-11-5-3-9(13(7-11)23(17,18)19)1-2-10-4-6-12(16)8-14(10)24(20,21)22/h1-8H,15-16H2,(H,17,18,19)(H,20,21,22)
IUPAC name chemrof:IUPAC_name 2,2'-ethene-1,2-diylbis(5-aminobenzenesulfonic Acid)
Molecular formula chemrof:molecular_formula C14H14N2O6S2
Molecular mass chemrof:molecular_mass 370.408
Monoisotopic mass chemrof:monoisotopic_mass 370.029328
SMILES string chemrof:smiles_string Nc1ccc(C=Cc2ccc(N)cc2S(=O)(=O)O)c(S(=O)(=O)O)c1

Known URLs

7

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=81-11-8 enrich_references.consensus_cas_link
chem.echa.europa.eu https://chem.echa.europa.eu/100.001.206 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID5024926 enrich_references.pubchem_identifier_url
ebi.ac.uk https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL3185470 enrich_references.pubchem_identifier_url
hts.usitc.gov https://hts.usitc.gov/search?query=2921.59.20.00 enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/6668 enrich_references.pubchem_compound
wikidata.org https://www.wikidata.org/wiki/Q21099682 enrich_references.pubchem_identifier_url

Elementary flows

13
Flow Context Source Unit CFs
3fcc1853-bc37-401c-ba95-cde4ef27eba9 Environmental → Air → Aircraft cruise height EF 3.1 kg 2
2eb5c06d-8f85-440a-866e-5fc516c8f599 Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 2
e0e85e02-0e2a-4957-8bcf-b6ec3889ef59 Environmental → Air → Indoor EF 3.1 kg 2
e8c50b63-4260-4770-ace5-b74aa09da9a2 Environmental → Air → Long-term EF 3.1 kg 0
89a1fa27-306f-462e-adb9-5f3eba8992b4 Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 2
d59c50df-1657-4561-a27e-5582f859968b Environmental → Air → Unknown EF 3.1 kg 2
2eb17f02-89d9-4a20-a69e-0581a2e93a8a Environmental → Ground → Agricultural EF 3.1 kg 2
db3e1015-6d15-4ade-b21e-981701aab0d6 Environmental → Ground → Non-agricultural EF 3.1 kg 2
3dd351af-326d-4d6a-864e-4fac502b39fb Environmental → Ground → Unknown EF 3.1 kg 2
0195ba56-3671-45ce-991a-b7e1b403f194 Environmental → Water → Long-term EF 3.1 kg 0
bb651fc2-eaf8-4df1-9bce-a073a84b34c1 Environmental → Water → Ocean EF 3.1 kg 2
47be90f8-d70f-46a3-9651-9d49155a127f Environmental → Water → Surface water EF 3.1 kg 2
fde7168a-e7cc-4643-bf37-503dff2c9f3d Environmental → Water → Unknown EF 3.1 kg 2

History

Everything that changed this substance (55 changes)

Open the changes page

Full record

Flow object JSON
{
  "flow_object_id": "fo-6678932fa760e8db",
  "prefLabel": [
    {
      "@value": "2,2'-ethene-1,2-diylbis(5-aminobenzenesulfonic Acid)",
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  ],
  "altLabel": [
    {
      "@value": "2,2′-(1,2-Ethenediyl)bis[5-aminobenzenesulfonic acid]",
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  "origin_qualifier": null,
  "parent_flow_object_id": null,
  "parent_intervention_id": null,
  "@type": [
    "https://w3id.org/chemrof/NeutralMolecule"
  ]
}

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