Basic information
- CAS
56918-92-4- Standard SMILES
Cc1cc(N=Nc2ccc(S(=O)(=O)O)cc2)c(N)c(N=Nc2ccc(NC(=O)c3ccc(N=Nc4ccc(O)c(C(=O)O)c4)cc3)cc2)c1N- InChIKey
DJMAQCZODPUFBF-UHFFFAOYSA-N- Molecular formula
- C33H27N9O7S
- Average molar mass
- 693.7 g/mol
- Monoisotopic mass
- 693.17541541
Names & identifiers
- Preferred name
- Benzoic acid, 5-[[4-[[[4-[[2,6-diamino-3-methyl-5-[(4-sulfophenyl)azo]phenyl]azo]phenyl]amino]carbonyl]phenyl]azo]-2-hydroxy-
- IUPAC
- 5-[[4-[[4-[[2,6-diamino-3-methyl-5-[(4-sulfophenyl)diazenyl]phenyl]diazenyl]phenyl]carbamoyl]phenyl]diazenyl]-2-hydroxybenzoic acid
Names & synonyms
56918-92-4Benzoic acid, 5-[[4-[[[4-[[2,6-diamino-3-methyl-5-[(4-sulfophenyl)azo]phenyl]azo]phenyl]amino]carbonyl]phenyl]azo]-2-hydroxy-Benzoic acid, 5-((4-(((4-((2,6-diamino-3-methyl-5-((4-sulfophenyl)azo)phenyl)azo)phenyl)amino)carbonyl)phenyl)azo)-2-hydroxy-DTXSID3069140EINECS 260-432-2NS000543815-((4-(((4-((2,6-Diamino-3-methyl-5-((4-sulphophenyl)azo)phenyl)azo)phenyl)amino)carbonyl)phenyl)azo)salicylic acid5-[(4-{[4-({2,6-Diamino-3-methyl-5-[(4-sulfophenyl)diazenyl]phenyl}diazenyl)phenyl]carbamoyl}phenyl)diazenyl]-2-hydroxybenzoic acidBenzoic acid, 5-(2-(4-(((4-(2-(2,6-diamino-3-methyl-5-(2-(4-sulfophenyl)diazenyl)phenyl)diazenyl)phenyl)amino)carbonyl)phenyl)diazenyl)-2-hydroxy-
Database identifiers
- CAS
56918-92-4- PubChem CID
- 92566
- DTXSID
DTXSID3069140- EC Number
- 260-432-2
- Nikkaji
- J267.132H
Properties
Computed structural properties
- XLogP
- 5.6
- Topological polar surface area
- 276 Ų
- Hydrogen bond donors
- 6
- Hydrogen bond acceptors
- 15
- Rotatable bonds
- 10
- Heavy atoms
- 50
- Formal charge
- 0
- Complexity
- 1,340
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationBenzoic acid, 5-[2-[4-[[[4-[2-[2,6-diamino-3-methyl-5-[2-(4-sulfophenyl)diazenyl]phenyl]diazenyl]phenyl]amino]carbonyl]phenyl]diazenyl]-2-hydroxy-: INACTIVE
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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