Basic information
- CAS
74900-77-9- Standard SMILES
Nc1ccc(Nc2ccc(S(=O)(=O)[O-])cc2[N+](=O)[O-])cc1.[Na+]- InChIKey
JJZUHCIOZCTEBR-UHFFFAOYSA-M- Molecular formula
- C12H10N3NaO5S
- Average molar mass
- 331.28 g/mol
- Monoisotopic mass
- 331.02388588
Names & identifiers
- Preferred name
- Sodium 4-(4-aminoanilino)-3-nitrobenzene-1-sulfonate
- IUPAC
- sodium 4-(4-aminoanilino)-3-nitrobenzenesulfonate
Names & synonyms
DTXSID40996392Sodium 4-(4-aminoanilino)-3-nitrobenzene-1-sulfonate
Database identifiers
- CAS
74900-77-9- PubChem CID
- 23713645
- DTXSID
DTXSID40996392- Nikkaji
- J29.900F
Properties
Computed structural properties
- Topological polar surface area
- 149 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 3
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 470
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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