[2-[(E)-2-(4-methoxyphenyl)ethenyl]-4-methyl-6-oxidanylidene-pyridin-1-yl] butane-1-sulfonate

Systemtic Name: [2-[(E)-2-(4-methoxyphenyl)ethenyl]-4-methyl-6-oxidanylidene-pyridin-1-yl] butane-1-sulfonate Openeye Name: [2-[(E)-2-(4-methoxyphenyl)vinyl]-4-methyl-6-oxo-1-pyridyl] butane-1-sulfonate CAS Name: 1-butanesulfonic acid IUPAC Name: [2-[(E)-2-(4-methoxyphenyl)ethenyl]-4-methyl-6-oxopyridin-1-yl] butane-1-sulfonate Traditional Name: butane-1-sulfonic acid [2-keto-6-[(E)-2-(4-methoxyphenyl)vinyl]-4-methyl-1-pyridyl] ester Formula: C19H23NO5S MolecularWeight: 377.45462

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Descriptors Computed from Structure

Canonical SMILES:

CCCCS(=O)(=O)ON1C(=CC(=CC1=O)C)C=CC2=CC=C(C=C2)OC

Isomeric SMILES

CCCCS(=O)(=O)ON1C(=CC(=CC1=O)C)/C=C/C2=CC=C(C=C2)OC

InChI

InChI=1S/C19H23NO5S/c1-4-5-12-26(22,23)25-20-17(13-15(2)14-19(20)21)9-6-16-7-10-18(24-3)11-8-16/h6-11,13-14H,4-5,12H2,1-3H3/b9-6+