methyl 5-(4-methylphenyl)carbonylsulfanylcyclohexa-1,5-diene-1-carboxylate

Systemtic Name: methyl 5-(4-methylphenyl)carbonylsulfanylcyclohexa-1,5-diene-1-carboxylate Openeye Name: methyl 5-(4-methylbenzoyl)sulfanylcyclohexa-1,5-diene-1-carboxylate CAS Name: 5-[[(4-methylphenyl)-oxomethyl]thio]-1-cyclohexa-1,5-dienecarboxylic acid methyl ester IUPAC Name: methyl 5-(4-methylbenzoyl)sulfanylcyclohexa-1,5-diene-1-carboxylate Traditional Name: 5-(p-toluoylthio)cyclohexa-1,5-diene-1-carboxylic acid methyl ester Formula: C16H16O3S MolecularWeight: 288.36144

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)SC2=CC(=CCC2)C(=O)OC

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)SC2=CC(=CCC2)C(=O)OC

InChI

InChI=1S/C16H16O3S/c1-11-6-8-12(9-7-11)16(18)20-14-5-3-4-13(10-14)15(17)19-2/h4,6-10H,3,5H2,1-2H3