butyl pyridine-3-carboxylate sulfate

Systemtic Name: butyl pyridine-3-carboxylate sulfate Openeye Name: butyl pyridine-3-carboxylate sulfate CAS Name: 3-pyridinecarboxylic acid butyl ester sulfate IUPAC Name: butyl pyridine-3-carboxylate sulfate Traditional Name: nicotinic acid butyl ester sulfate Formula: C10H13NO6S-2 MolecularWeight: 275.27832

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)C1=CN=CC=C1.[O-]S(=O)(=O)[O-]

Isomeric SMILES

CCCCOC(=O)C1=CN=CC=C1.[O-]S(=O)(=O)[O-]

InChI

InChI=1S/C10H13NO2.H2O4S/c1-2-3-7-13-10(12)9-5-4-6-11-8-9;1-5(2,3)4/h4-6,8H,2-3,7H2,1H3;(H2,1,2,3,4)/p-2