methyl (2E,4E)-7-(4-methylphenyl)sulfanyl-6,9-bis(oxidanylidene)-9-phenyl-nona-2,4-dienoate

Systemtic Name: methyl (2E,4E)-7-(4-methylphenyl)sulfanyl-6,9-bis(oxidanylidene)-9-phenyl-nona-2,4-dienoate Openeye Name: methyl (2E,4E)-6,9-dioxo-9-phenyl-7-(p-tolylsulfanyl)nona-2,4-dienoate CAS Name: (2E,4E)-7-[(4-methylphenyl)thio]-6,9-dioxo-9-phenylnona-2,4-dienoic acid methyl ester IUPAC Name: methyl (2E,4E)-7-(4-methylphenyl)sulfanyl-6,9-dioxo-9-phenylnona-2,4-dienoate Traditional Name: (2E,4E)-6,9-diketo-9-phenyl-7-(p-tolylthio)nona-2,4-dienoic acid methyl ester Formula: C23H22O4S MolecularWeight: 394.48338

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SC(CC(=O)C2=CC=CC=C2)C(=O)C=CC=CC(=O)OC

Isomeric SMILES

CC1=CC=C(C=C1)SC(CC(=O)C2=CC=CC=C2)C(=O)/C=C/C=C/C(=O)OC

InChI

InChI=1S/C23H22O4S/c1-17-12-14-19(15-13-17)28-22(16-21(25)18-8-4-3-5-9-18)20(24)10-6-7-11-23(26)27-2/h3-15,22H,16H2,1-2H3/b10-6+,11-7+