[1-(3-methylphenyl)-1-sulfooxy-propyl] 4H-pyridine-1-carboxylate

Systemtic Name: [1-(3-methylphenyl)-1-sulfooxy-propyl] 4H-pyridine-1-carboxylate Openeye Name: [1-(m-tolyl)-1-sulfooxy-propyl] 4H-pyridine-1-carboxylate CAS Name: 4H-pyridine-1-carboxylic acid [1-(3-methylphenyl)-1-sulfooxypropyl] ester IUPAC Name: [1-(3-methylphenyl)-1-sulfooxypropyl] 4H-pyridine-1-carboxylate Traditional Name: 4H-pyridine-1-carboxylic acid [1-(m-tolyl)-1-sulfoxy-propyl] ester Formula: C16H19NO6S MolecularWeight: 353.39016

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C1=CC=CC(=C1)C)(OC(=O)N2C=CCC=C2)OS(=O)(=O)O

Isomeric SMILES

CCC(C1=CC=CC(=C1)C)(OC(=O)N2C=CCC=C2)OS(=O)(=O)O

InChI

InChI=1S/C16H19NO6S/c1-3-16(23-24(19,20)21,14-9-7-8-13(2)12-14)22-15(18)17-10-5-4-6-11-17/h5-12H,3-4H2,1-2H3,(H,19,20,21)