Consensus flow list

2,2'-[(3,3'-dichlorobiphenyl-4,4'-diyl)didiazene-2,1-diyl]bis[n-(2-methoxyphenyl)-3-oxobutanamide]

fo-15e30d2494d98c21

Identity

Type
NeutralMolecule
CAS
4531-49-1
EC
224-867-1
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-(2-methoxyphenyl)-3-oxobutanamide]

Alternative labels

49

Properties

PropertyValue
InChI2D key string chemrof:inchi2d_key_string VTGOEJALMFECDQ-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C34H30Cl2N6O6/c1-19(43)31(33(45)37-27-9-5-7-11-29(27)47-3)41-39-25-15-13-21(17-23(25)35)22-14-16-26(24(36)18-22)40-42-32(20(2)44)34(46)38-28-10-6-8-12-30(28)48-4/h5-18,31-32H,1-4H3,(H,37,45)(H,38,46)
IUPAC name chemrof:IUPAC_name 2,2′-[(3,3′-Dichloro[1,1′-biphenyl]-4,4′-diyl)bis(2,1-diazenediyl)]bis[N-(2-methoxyphenyl)-3-oxobutanamide]
Molecular formula chemrof:molecular_formula C34H30Cl2N6O6
Molecular mass chemrof:molecular_mass 689.556
Monoisotopic mass chemrof:monoisotopic_mass 688.160388
SMILES string chemrof:smiles_string COc1ccccc1NC(=O)C(N=Nc1ccc(-c2ccc(N=NC(C(C)=O)C(=O)Nc3ccccc3OC)c(Cl)c2)cc1Cl)C(C)=O

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=4531-49-1 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID60863411 enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/OE5UP31E08 enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J35.633F enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/91539 enrich_references.pubchem_compound
wikidata.org https://www.wikidata.org/wiki/Q126609077 enrich_references.pubchem_identifier_url

Elementary flows

13
Flow Context Source Unit CFs
3ae2ccc5-a4fe-418a-adb0-c156edb4f69d Environmental → Air → Aircraft cruise height EF 3.1 kg 4
94b9be86-eb1f-42b1-9e07-c7cf78409545 Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 4
aefab63c-30f0-4698-8cdc-4bb78dc712a2 Environmental → Air → Indoor EF 3.1 kg 4
98f23f38-0536-47f6-92d4-fbb2171c876f Environmental → Air → Long-term EF 3.1 kg 0
60c7f622-c1ea-42be-91ca-2b83e0a471cd Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 4
0167f128-c7b3-4744-8184-78462d6afcf5 Environmental → Air → Unknown EF 3.1 kg 4
effa84ac-0cf9-4897-b6d5-55d549bbf3e8 Environmental → Ground → Agricultural EF 3.1 kg 4
72c50ad2-99af-468b-92db-a9ffcf721d77 Environmental → Ground → Non-agricultural EF 3.1 kg 4
5d6c3381-adce-4192-af64-99d97a1d85aa Environmental → Ground → Unknown EF 3.1 kg 4
1fa6cb47-b2a0-47e5-b59d-71b90d3d1e66 Environmental → Water → Long-term EF 3.1 kg 0
3363f076-2b64-4f0a-bfa7-6491ab5d6cc0 Environmental → Water → Ocean EF 3.1 kg 4
fd17b137-0c56-429c-bc87-665da06b296f Environmental → Water → Surface water EF 3.1 kg 4
60640b8a-a778-4ffe-bc30-46a0bb5c2190 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 
{
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  ],
  "altLabel": [
    {
      "@value": "2,2′-[(3,3′-Dichloro[1,1′-biphenyl]-4,4′-diyl)bis(2,1-diazenediyl)]bis[N-(2-methoxyphenyl)-3-oxobutanamide]",
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