Consensus flow list

Identity

Type
NeutralMolecule
CAS
31775-20-9
EC
250-799-7
Origin
EF 3.1 hybrid_name_cas_v1
Changes
54 across every transformer

Structure

Structure diagram for 2,2'-[(3,3'-dichlorobiphenyl-4,4'-diyl)didiazene-2,1-diyl]bis[n-(4-ethoxyphenyl)-3-oxobutanamide]

Alternative labels

8

Properties

PropertyValue
InChI2D key string chemrof:inchi2d_key_string LNBRYDZEIVHGHO-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C36H34Cl2N6O6/c1-5-49-27-13-9-25(10-14-27)39-35(47)33(21(3)45)43-41-31-17-7-23(19-29(31)37)24-8-18-32(30(38)20-24)42-44-34(22(4)46)36(48)40-26-11-15-28(16-12-26)50-6-2/h7-20,33-34H,5-6H2,1-4H3,(H,39,47)(H,40,48)
IUPAC name chemrof:IUPAC_name 2,2′-[(3,3′-Dichloro[1,1′-biphenyl]-4,4′-diyl)bis(2,1-diazenediyl)]bis[N-(4-ethoxyphenyl)-3-oxobutanamide]
Molecular formula chemrof:molecular_formula C36H34Cl2N6O6
Molecular mass chemrof:molecular_mass 717.61
Monoisotopic mass chemrof:monoisotopic_mass 716.191688
SMILES string chemrof:smiles_string CCOc1ccc(NC(=O)C(N=Nc2ccc(-c3ccc(N=NC(C(C)=O)C(=O)Nc4ccc(OCC)cc4)c(Cl)c3)cc2Cl)C(C)=O)cc1

Known URLs

6

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=31775-20-9 enrich_references.pubchem_identifier_url
chem.echa.europa.eu https://chem.echa.europa.eu/100.046.166 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID40885515 enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J278.186G enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/169360 enrich_references.pubchem_compound
wikidata.org https://www.wikidata.org/wiki/Q82864156 enrich_references.pubchem_identifier_url

Elementary flows

13
Flow Context Source Unit CFs
4df13cfc-c23f-46ba-a482-28f98741211a Environmental → Air → Aircraft cruise height EF 3.1 kg 4
8b1b24ce-004e-402d-a3f9-76193b0b7a6e Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 4
2868c969-2a57-414b-a7c6-1df1fc4386e9 Environmental → Air → Indoor EF 3.1 kg 4
6463a5b7-e959-41e0-a85f-dc6e141e1191 Environmental → Air → Long-term EF 3.1 kg 0
4a0f7236-4d9f-4420-9673-e08db2091902 Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 4
4d0655af-e934-4b3e-be9e-d2e9ebf37cb1 Environmental → Air → Unknown EF 3.1 kg 4
754ca455-7cc6-459f-81b8-f71950da82a4 Environmental → Ground → Agricultural EF 3.1 kg 4
a8fa6aff-88e6-419b-a499-ec52dc183628 Environmental → Ground → Non-agricultural EF 3.1 kg 4
3d1d71da-dd70-4829-a04c-662331c58c61 Environmental → Ground → Unknown EF 3.1 kg 4
309ed09e-baed-4be9-a434-efc850fc2496 Environmental → Water → Long-term EF 3.1 kg 0
d3f52444-5a0b-4c01-b576-ec68e1bb43b2 Environmental → Water → Ocean EF 3.1 kg 4
a46db30f-ec21-477e-ae39-b4cb44eafcdb Environmental → Water → Surface water EF 3.1 kg 4
cb83ae81-4bb2-407d-a5af-70e747cb64f5 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-17ca1536c56d1f60",
  "prefLabel": [
    {
      "@value": "2,2'-[(3,3'-dichlorobiphenyl-4,4'-diyl)didiazene-2,1-diyl]bis[n-(4-ethoxyphenyl)-3-oxobutanamide]",
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  ],
  "altLabel": [
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      "@value": "2,2′-[(3,3′-Dichloro[1,1′-biphenyl]-4,4′-diyl)bis(2,1-diazenediyl)]bis[N-(4-ethoxyphenyl)-3-oxobutanamide]",
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    },
    {
      "@value": "Butanamide, 2,2′-[(3,3′-dichloro[1,1′-biphenyl]-4,4′-diyl)bis(2,1-diazenediyl)]bis[N-(4-ethoxyphenyl)-3-oxo-",
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    },
    {
      "@value": "Butanamide, 2,2′-[(3,3′-dichloro[1,1′-biphenyl]-4,4′-diyl)bis(azo)]bis[N-(4-ethoxyphenyl)-3-oxo-",
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    {
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        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "EF 3.1"
        ],
        "prov:wasDerivedFrom": "ec_numbers"
      }
    }
  },
  "origin_qualifier": null,
  "parent_flow_object_id": null,
  "parent_intervention_id": null,
  "@type": [
    "https://w3id.org/chemrof/NeutralMolecule"
  ]
}

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