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

Systemtic Name: [2-[(E)-2-(4-chlorophenyl)ethenyl]-4-methyl-6-oxidanylidene-pyridin-1-yl] propane-2-sulfonate Openeye Name: [2-[(E)-2-(4-chlorophenyl)vinyl]-4-methyl-6-oxo-1-pyridyl] propane-2-sulfonate CAS Name: 2-propanesulfonic acid IUPAC Name: [2-[(E)-2-(4-chlorophenyl)ethenyl]-4-methyl-6-oxopyridin-1-yl] propane-2-sulfonate Traditional Name: propane-2-sulfonic acid [2-[(E)-2-(4-chlorophenyl)vinyl]-6-keto-4-methyl-1-pyridyl] ester Formula: C17H18ClNO4S MolecularWeight: 367.84712

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=O)N(C(=C1)C=CC2=CC=C(C=C2)Cl)OS(=O)(=O)C(C)C

Isomeric SMILES

CC1=CC(=O)N(C(=C1)/C=C/C2=CC=C(C=C2)Cl)OS(=O)(=O)C(C)C

InChI

InChI=1S/C17H18ClNO4S/c1-12(2)24(21,22)23-19-16(10-13(3)11-17(19)20)9-6-14-4-7-15(18)8-5-14/h4-12H,1-3H3/b9-6+