Basic information
- CAS
6330-93-4- Standard SMILES
O=C(Nc1ccc(N=Nc2ccc(S(=O)(=O)[O-])cc2)cc1)c1ccc(N=Nc2ccc3c(S(=O)(=O)[O-])cccc3c2O)cc1.[Na+].[Na+]- InChIKey
CEVLPUDIULUFKV-UHFFFAOYSA-L- Molecular formula
- C29H19N5Na2O8S2
- Average molar mass
- 675.6 g/mol
- Monoisotopic mass
- 675.04704349
Names & identifiers
- Preferred name
- 1-Naphthalenesulfonic acid, 5-hydroxy-6-((P-((P-((P-sulfophenyl)azo)phenyl)carbamoyl)phenyl)azo)-, disodium salt
- IUPAC
- disodium;5-hydroxy-6-[[4-[[4-[(4-sulfonatophenyl)diazenyl]phenyl]carbamoyl]phenyl]diazenyl]naphthalene-1-sulfonate
Names & synonyms
NSC-456131-NAPHTHALENESULFONIC ACID, 5-HYDROXY-6-((P-((P-((P-SULFOPHENYL)AZO)PHENYL)CARBAMOYL)PHENYL)AZO)-, DISODIUM SALT1-NAPHTHALENESULFONIC ACID, 5-HYDROXY-6-(2-(4-(((4-(2-(4-SULFOPHENYL)DIAZENYL)PHENYL)AMINO)CARBONYL)PHENYL)DIAZENYL)-, SODIUM SALT (1:2)DISODIUM 5-HYDROXY-6-(2-(4-(((4-(2-(4-SULFOPHENYL)DIAZENYL)PHENYL)AMINO)CARBONYL)PHENYL)DIAZENYL)-1-NAPHTHALENESULFONATE
Database identifiers
- CAS
6330-93-4- PubChem CID
- 165411925
- UNII
- M5ZTJ77Z4J
Properties
Computed structural properties
- Topological polar surface area
- 230 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 12
- Rotatable bonds
- 6
- Heavy atoms
- 46
- Formal charge
- 0
- Complexity
- 1,220
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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