[2-[(Z)-2-cyclohexyl-2-phenyl-ethenyl]-4-methyl-6-oxidanylidene-pyridin-1-yl] 4-methylbenzenesulfonate

Systemtic Name: [2-[(Z)-2-cyclohexyl-2-phenyl-ethenyl]-4-methyl-6-oxidanylidene-pyridin-1-yl] 4-methylbenzenesulfonate Openeye Name: [2-[(Z)-2-cyclohexyl-2-phenyl-vinyl]-4-methyl-6-oxo-1-pyridyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [2-[(Z)-2-cyclohexyl-2-phenylethenyl]-4-methyl-6-oxo-1-pyridinyl] ester IUPAC Name: [2-[(Z)-2-cyclohexyl-2-phenylethenyl]-4-methyl-6-oxopyridin-1-yl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [2-[(Z)-2-cyclohexyl-2-phenyl-vinyl]-6-keto-4-methyl-1-pyridyl] ester Formula: C27H29NO4S MolecularWeight: 463.58846

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)ON2C(=CC(=CC2=O)C)C=C(C3CCCCC3)C4=CC=CC=C4

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)ON2C(=CC(=CC2=O)C)/C=C(/C3CCCCC3)\C4=CC=CC=C4

InChI

InChI=1S/C27H29NO4S/c1-20-13-15-25(16-14-20)33(30,31)32-28-24(17-21(2)18-27(28)29)19-26(22-9-5-3-6-10-22)23-11-7-4-8-12-23/h3,5-6,9-10,13-19,23H,4,7-8,11-12H2,1-2H3/b26-19+