Basic information
- CAS
71873-49-9- Standard SMILES
O=C([O-])c1ccc(N=Nc2ccc(N=[N+]([O-])c3ccc(C=Cc4ccc([N+]([O-])=Nc5ccc(N=Nc6ccc(C(=O)[O-])cc6)cc5)cc4S(=O)(=O)[O-])c(S(=O)(=O)[O-])c3)cc2)cc1.[Na+].[Na+].[Na+].[Na+]- InChIKey
ZHMNNCYAYMTORS-UHFFFAOYSA-J- Molecular formula
- C40H24N8Na4O12S2
- Average molar mass
- 964.8 g/mol
- Monoisotopic mass
- 964.05458771
Names & identifiers
- Preferred name
- Benzoic acid, 4,4'-[1,2-ethenediylbis[(3-sulfo-4,1-phenylene)-ONN-azoxy-4,1-phenyleneazo]]bis-, tetrasodium salt
- IUPAC
- tetrasodium;4-[[4-[[[4-[2-[4-[[4-[(4-carboxylatophenyl)diazenyl]phenyl]imino-oxidoazaniumyl]-2-sulfonatophenyl]ethenyl]-3-sulfonatophenyl]-oxidoazaniumylidene]amino]phenyl]diazenyl]benzoate
Names & synonyms
71873-49-9Benzoic acid, 4,4'-[1,2-ethenediylbis[(3-sulfo-4,1-phenylene)-ONN-azoxy-4,1-phenyleneazo]]bis-, tetrasodium saltDTXSID50890170Benzoic acid, 4,4'-[1,2-ethenediylbis[(3-sulfo-4,1-phenylene)(2-oxido-2,1-diazenediyl)-4,1-phenylene-2,1-diazenediyl]]bis-, sodium salt (1:4)NS00123871Tetrasodium 4-({4-[(4-{2-[4-({4-[(4-carboxylatophenyl)diazenyl]phenyl}-NNO-azoxy)-2-sulfonatophenyl]ethen-1-yl}-3-sulfonatophenyl)-ONN-azoxy]phenyl}diazenyl)benzoate
Database identifiers
- CAS
71873-49-9- PubChem CID
- 166207
- DTXSID
DTXSID50890170- EC Number
- 276-125-1
Properties
Computed structural properties
- Topological polar surface area
- 343 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 18
- Rotatable bonds
- 10
- Heavy atoms
- 66
- Formal charge
- 0
- Complexity
- 1,730
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: Benzoic acid, 4,4'-[1,2-ethenediylbis[(3-sulfo-4,1-phenylene)-ONN-azoxy-4,1-phenyleneazo]]bis-, tetrasodium salt
Other Safety InformationEvaluation - Chemicals not considered for in depth evaluation - Not commercially active in Australia
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationBenzoic acid, 4,4'-[1,2-ethenediylbis[(3-sulfo-4,1-phenylene)(2-oxido-2,1-diazenediyl)-4,1-phenylene-2,1-diazenediyl]]bis-, sodium salt (1:4): INACTIVE
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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