Basic information
- CAS
71720-85-9- Standard SMILES
O=C(Nc1cccc2c(OS(=O)(=O)[O-])c3ccccc3c(OS(=O)(=O)[O-])c12)C1(N=NC2(C(=O)Nc3cccc4c(OS(=O)(=O)[O-])c5ccccc5c(OS(=O)(=O)[O-])c34)C=CC(c3ccccc3)=CC2)C=CC(c2ccccc2)=CC1.[Na+].[Na+].[Na+].[Na+]- InChIKey
HTFJUPKYCDWBFK-UHFFFAOYSA-J- Molecular formula
- C54H36N4O18S4.4Na
- Average molar mass
- 1,249.1 g/mol
- Monoisotopic mass
- 1,248.0498221
Names & identifiers
- Preferred name
- (1,1'-Biphenyl)-4-carboxamide, 4',4'''-(1,2-diazenediyl)bis(N-(9,10-bis(sulfooxy)-1-anthracenyl)-, sodium salt (1:4)
- IUPAC
- tetrasodium;[1-[[1-[[1-[(9,10-disulfonatooxyanthracen-1-yl)carbamoyl]-4-phenylcyclohexa-2,4-dien-1-yl]diazenyl]-4-phenylcyclohexa-2,4-diene-1-carbonyl]amino]-10-sulfonatooxyanthracen-9-yl] sulfate
Names & synonyms
71720-85-9EINECS 275-913-2DTXSID40891035(1,1'-Biphenyl)-4-carboxamide, 4',4'''-azobis(N-(9,10-bis(sulfooxy)-1-anthracenyl)-, tetrasodium salt(1,1'-Biphenyl)-4-carboxamide, 4',4'''-(1,2-diazenediyl)bis(N-(9,10-bis(sulfooxy)-1-anthracenyl)-, sodium salt (1:4)[1,1'-Biphenyl]-4-carboxamide, 4',4'''-(1,2-diazenediyl)bis[N-[9,10-bis(sulfooxy)-1-anthracenyl]-, sodium salt (1:4)[1,1'-Biphenyl]-4-carboxamide, 4',4'''-azobis[N-[9,10-bis(sulfooxy)-1-anthracenyl]-, tetrasodium saltRefChem:68067DTXCID001079070NS00121096Tetrasodium ({[diazenediylbis(3,4-dihydro[1,1'-biphenyl]-4,4-diyl)carbonyl]azanediyl}anthracene-1,9,10-triyl) tetrasulfateTetrasodium 1,1'-(((4',4'''-azobis(1,1'-biphenyl)-4,4''-diyl)dicarbonyl)diamino)bis(anthracene-9,10-diyl) tetrasulphate
Database identifiers
- CAS
71720-85-9- PubChem CID
- 166178
- DTXSID
DTXSID40891035- EC Number
- 275-913-2
Properties
Computed structural properties
- Topological polar surface area
- 382 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 20
- Rotatable bonds
- 12
- Heavy atoms
- 84
- Formal charge
- 0
- Complexity
- 2,650
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Hazard information
Regulatory InformationChemical: [1,1'-Biphenyl]-4-carboxamide, 4',4'''-azobis[N-[9,10-bis(sulfooxy)-1-anthracenyl]-, tetrasodium salt
Other Safety InformationIMAP assessments - [1,1'-Biphenyl]-4-carboxamide, 4',4'''-azobis[N-[9,10-bis(sulfooxy)-1-anthracenyl]-, tetrasodium salt: Human health tier I assessment
Chemistry & industry
Uses & manufacturing
General Manufacturing Information[1,1'-Biphenyl]-4-carboxamide, 4',4'''-(1,2-diazenediyl)bis[N-[9,10-bis(sulfooxy)-1-anthracenyl]-, sodium salt (1:4): INACTIVE
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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