Basic information
- CAS
93939-97-0- Standard SMILES
O=c1cc/c(=N\Nc2cc(S(=O)(=O)[O-])ccc2O)c(=O)/c1=N\Nc1ccc([N+](=O)[O-])cc1.[Na+]- InChIKey
UKZWTHKLFQMOGM-UHFFFAOYSA-N- Molecular formula
- C18H12N5NaO8S
- Average molar mass
- 481.4 g/mol
- Monoisotopic mass
- 481.03042781
Names & identifiers
- Preferred name
- Sodium 3-[[2,4-dihydroxy-3-[(4-nitrophenyl)azo]phenyl]azo]-4-hydroxybenzenesulphonate
- IUPAC
- sodium 4-hydroxy-3-[(2E)-2-[(5Z)-5-[(4-nitrophenyl)hydrazinylidene]-4,6-dioxocyclohex-2-en-1-ylidene]hydrazinyl]benzenesulfonate
- English name
- sodium 3-[[2,4-dihydroxy-3-[(4-nitrophenyl)azo]phenyl]azo]-4-hydroxybenzenesulphonate
- Molecular formula
- C18H12N5NaO8S
- Molecular weight
- 482.38
Names & synonyms
EINECS 300-388-493939-97-0Sodium 3-((2,4-dihydroxy-3-((4-nitrophenyl)azo)phenyl)azo)-4-hydroxybenzenesulphonateSodium 3-[[2,4-dihydroxy-3-[(4-nitrophenyl)azo]phenyl]azo]-4-hydroxybenzenesulphonateRefChem:886957300-388-4Sodium 3-[[2,4-dihydroxy-3-[(4-nitrophenyl)azo]phenyl]azo]-4-hydroxybenzenesulfonate3-[[2,4-Dihydroxy-3-[(4-nitrophenyl)azo]phenyl]azo]-4-hydroxybenzenesulfonic acid sodium salt
Database identifiers
- CAS
93939-97-0- PubChem CID
- 6366306
- EC Number
- 300-388-4
Properties
Computed structural properties
- Topological polar surface area
- 215 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 12
- Rotatable bonds
- 4
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 944
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS ClassificationNot Classified
Hazard information
Hazard Classes and CategoriesNot Classified
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…