(4E)-5,6-dimethyl-4-(4-methylphenyl)sulfonylimino-3-oxidanylidene-2-pyridin-1-ium-1-yl-cyclohexa-1,5-dien-1-olate

Systemtic Name: (4E)-5,6-dimethyl-4-(4-methylphenyl)sulfonylimino-3-oxidanylidene-2-pyridin-1-ium-1-yl-cyclohexa-1,5-dien-1-olate Openeye Name: (4E)-5,6-dimethyl-3-oxo-4-(p-tolylsulfonylimino)-2-pyridin-1-ium-1-yl-cyclohexa-1,5-dien-1-olate CAS Name: (4E)-5,6-dimethyl-4-(4-methylphenyl)sulfonylimino-3-oxo-2-(1-pyridin-1-iumyl)-1-cyclohexa-1,5-dienolate IUPAC Name: (4E)-5,6-dimethyl-4-(4-methylphenyl)sulfonylimino-3-oxo-2-pyridin-1-ium-1-ylcyclohexa-1,5-dien-1-olate Traditional Name: (4E)-3-keto-5,6-dimethyl-2-pyridin-1-ium-1-yl-4-tosylimino-cyclohexa-1,5-dien-1-olate Formula: C20H18N2O4S MolecularWeight: 382.43292

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N=C2C(=C(C(=C(C2=O)[N+]3=CC=CC=C3)[O-])C)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)/N=C/2\C(=C(C(=C(C2=O)[N+]3=CC=CC=C3)[O-])C)C

InChI

InChI=1S/C20H18N2O4S/c1-13-7-9-16(10-8-13)27(25,26)21-17-14(2)15(3)19(23)18(20(17)24)22-11-5-4-6-12-22/h4-12H,1-3H3/b21-17+