[2-(4-methylphenyl)-6-oxidanylidene-4-propyl-pyridin-1-yl] butane-1-sulfonate

Systemtic Name: [2-(4-methylphenyl)-6-oxidanylidene-4-propyl-pyridin-1-yl] butane-1-sulfonate Openeye Name: [2-oxo-4-propyl-6-(p-tolyl)-1-pyridyl] butane-1-sulfonate CAS Name: 1-butanesulfonic acid IUPAC Name: [2-(4-methylphenyl)-6-oxo-4-propylpyridin-1-yl] butane-1-sulfonate Traditional Name: butane-1-sulfonic acid [2-keto-4-propyl-6-(p-tolyl)-1-pyridyl] ester Formula: C19H25NO4S MolecularWeight: 363.4711

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Descriptors Computed from Structure

Canonical SMILES:

CCCCS(=O)(=O)ON1C(=CC(=CC1=O)CCC)C2=CC=C(C=C2)C

Isomeric SMILES

CCCCS(=O)(=O)ON1C(=CC(=CC1=O)CCC)C2=CC=C(C=C2)C

InChI

InChI=1S/C19H25NO4S/c1-4-6-12-25(22,23)24-20-18(17-10-8-15(3)9-11-17)13-16(7-5-2)14-19(20)21/h8-11,13-14H,4-7,12H2,1-3H3