Basic information
- Standard SMILES
CCOC(=O)c1c(S(=O)(=O)O)nc(-c2ccccc2)c([N+](=O)[O-])c1C(=O)OCC- InChIKey
CAAVTHYKOQRPSD-UHFFFAOYSA-N- Molecular formula
- C17H16N2O9S
- Average molar mass
- 424.4 g/mol
Names & identifiers
- Preferred name
- 3,4-Diethoxycarbonyl-5-nitro-6-phenyl-2-sulfopyridine
- IUPAC
- 3,4-bis(ethoxycarbonyl)-5-nitro-6-phenylpyridine-2-sulfonic acid
Names & synonyms
SCHEMBL9269139CAAVTHYKOQRPSD-UHFFFAOYSA-N3,4-Diethoxycarbonyl-5-nitro-6-phenyl-2-sulfopyridine
Database identifiers
- PubChem CID
- 19935609
Properties
Computed structural properties
- XLogP
- 1.9
- Topological polar surface area
- 174 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 8
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 709
Related reactions
2 records
Compound notes
Loading…