Ammonium, (3-hydroxy-4-(p-sulfophenylazo)phenyl)trimethyl-, sodium salt, benzenesulfonate, dimethylcarbamate (ester)
Basic information
- CAS
66967-97-3- Standard SMILES
CN(C)C(=O)Oc1cc([N+](C)(C)C)ccc1N=Nc1ccc(S(=O)(=O)[O-])cc1.O=S(=O)([O-])c1ccccc1.[Na+]- InChIKey
XDMGSUMGCDAGRA-UHFFFAOYSA-M- Molecular formula
- C24H27N4NaO8S2
- Average molar mass
- 586.6 g/mol
- Monoisotopic mass
- 586.11680046
Names & identifiers
- Preferred name
- Ammonium, (3-hydroxy-4-(p-sulfophenylazo)phenyl)trimethyl-, sodium salt, benzenesulfonate, dimethylcarbamate (ester)
- IUPAC
- sodium;benzenesulfonate;4-[[2-(dimethylcarbamoyloxy)-4-(trimethylazaniumyl)phenyl]diazenyl]benzenesulfonate
Names & synonyms
66967-97-3Ammonium, (3-hydroxy-4-(p-sulfophenylazo)phenyl)trimethyl-, sodium salt, benzenesulfonate, dimethylcarbamate (ester)Ro 2-1941
Database identifiers
- CAS
66967-97-3- PubChem CID
- 48681
Properties
Computed structural properties
- Topological polar surface area
- 185 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 5
- Heavy atoms
- 39
- Formal charge
- 0
- Complexity
- 817
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…