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

Systemtic Name: [2-[(E)-2-(4-methoxyphenyl)ethenyl]-4-methyl-6-oxidanylidene-pyridin-1-yl] 4-chloranylbenzenesulfonate Openeye Name: [2-[(E)-2-(4-methoxyphenyl)vinyl]-4-methyl-6-oxo-1-pyridyl] 4-chlorobenzenesulfonate CAS Name: 4-chlorobenzenesulfonic acid [2-[(E)-2-(4-methoxyphenyl)ethenyl]-4-methyl-6-oxo-1-pyridinyl] ester IUPAC Name: [2-[(E)-2-(4-methoxyphenyl)ethenyl]-4-methyl-6-oxopyridin-1-yl] 4-chlorobenzenesulfonate Traditional Name: 4-chlorobenzenesulfonic acid [2-keto-6-[(E)-2-(4-methoxyphenyl)vinyl]-4-methyl-1-pyridyl] ester Formula: C21H18ClNO5S MolecularWeight: 431.88932

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=O)N(C(=C1)C=CC2=CC=C(C=C2)OC)OS(=O)(=O)C3=CC=C(C=C3)Cl

Isomeric SMILES

CC1=CC(=O)N(C(=C1)/C=C/C2=CC=C(C=C2)OC)OS(=O)(=O)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C21H18ClNO5S/c1-15-13-18(8-3-16-4-9-19(27-2)10-5-16)23(21(24)14-15)28-29(25,26)20-11-6-17(22)7-12-20/h3-14H,1-2H3/b8-3+