Basic information
- CAS
91996-52-0- Standard SMILES
Nc1ccc2cc(S(=O)(=O)[O-])c(N=Nc3ccccc3NC(=O)c3ccc(N=Nc4ccc(O)c(C(=O)[O-])c4)cc3)c(O)c2c1.[Na+].[Na+]- InChIKey
CLRRYPFDIKJKDP-UHFFFAOYSA-L- Molecular formula
- C30H20N6Na2O8S
- Average molar mass
- 670.6 g/mol
- Monoisotopic mass
- 670.08587135
Names & identifiers
- Preferred name
- Benzoic acid, 5-[2-[4-[[[[2-(7-amino-1-hydroxy-3-sulfo-2-naphthalenyl)diazenyl]phenyl]amino]carbonyl]phenyl]diazenyl]-2-hydroxy-, sodium salt (1:2)
- IUPAC
- disodium;5-[[4-[[2-[(7-amino-1-hydroxy-3-sulfonatonaphthalen-2-yl)diazenyl]phenyl]carbamoyl]phenyl]diazenyl]-2-hydroxybenzoate
Names & synonyms
91996-52-0DTXSID60890429Benzoic acid, 5-((4-(((((7-amino-1-hydroxy-3-sulfo-2-naphthalenyl)azo)phenyl)amino)carbonyl)phenyl)azo)-2-hydroxy-, disodium saltBenzoic acid, 5-(2-(4-((((2-(7-amino-1-hydroxy-3-sulfo-2-naphthalenyl)diazenyl)phenyl)amino)carbonyl)phenyl)diazenyl)-2-hydroxy-, sodium salt (1:2)Benzoic acid, 5-[2-[4-[[[[2-(7-amino-1-hydroxy-3-sulfo-2-naphthalenyl)diazenyl]phenyl]amino]carbonyl]phenyl]diazenyl]-2-hydroxy-, sodium salt (1:2)Benzoic acid, 5-[[4-[[[[(7-amino-1-hydroxy-3-sulfo-2-naphthalenyl)azo]phenyl]amino]carbonyl]phenyl]azo]-2-hydroxy-, disodium saltRefChem:118482DTXCID401079408Disodium 5-{[4-({2-[(7-amino-1-hydroxy-3-sulfonatonaphthalen-2-yl)diazenyl]phenyl}carbamoyl)phenyl]diazenyl}-2-hydroxybenzoate
Database identifiers
- CAS
91996-52-0- PubChem CID
- 3045291
- DTXSID
DTXSID60890429
Properties
Computed structural properties
- Topological polar surface area
- 251 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 13
- Rotatable bonds
- 6
- Heavy atoms
- 47
- Formal charge
- 0
- Complexity
- 1,190
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationBenzoic acid, 5-[2-[4-[[[[2-(7-amino-1-hydroxy-3-sulfo-2-naphthalenyl)diazenyl]phenyl]amino]carbonyl]phenyl]diazenyl]-2-hydroxy-, sodium salt (1:2): INACTIVE
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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