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

Systemtic Name: [2-[(E)-2-(4-chlorophenyl)ethenyl]-4-methyl-6-oxidanylidene-pyridin-1-yl] butane-1-sulfonate Openeye Name: [2-[(E)-2-(4-chlorophenyl)vinyl]-4-methyl-6-oxo-1-pyridyl] butane-1-sulfonate CAS Name: 1-butanesulfonic acid IUPAC Name: [2-[(E)-2-(4-chlorophenyl)ethenyl]-4-methyl-6-oxopyridin-1-yl] butane-1-sulfonate Traditional Name: butane-1-sulfonic acid [2-[(E)-2-(4-chlorophenyl)vinyl]-6-keto-4-methyl-1-pyridyl] ester Formula: C18H20ClNO4S MolecularWeight: 381.8737

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H20ClNO4S/c1-3-4-11-25(22,23)24-20-17(12-14(2)13-18(20)21)10-7-15-5-8-16(19)9-6-15/h5-10,12-13H,3-4,11H2,1-2H3/b10-7+