methyl 2-(4-methylphenyl)carbonylcyclohexa-1,3-diene-1-carboxylate

Systemtic Name: methyl 2-(4-methylphenyl)carbonylcyclohexa-1,3-diene-1-carboxylate Openeye Name: methyl 2-(4-methylbenzoyl)cyclohexa-1,3-diene-1-carboxylate CAS Name: 2-[(4-methylphenyl)-oxomethyl]-1-cyclohexa-1,3-dienecarboxylic acid methyl ester IUPAC Name: methyl 2-(4-methylbenzoyl)cyclohexa-1,3-diene-1-carboxylate Traditional Name: 2-p-toluoylcyclohexa-1,3-diene-1-carboxylic acid methyl ester Formula: C16H16O3 MolecularWeight: 256.29644

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H16O3/c1-11-7-9-12(10-8-11)15(17)13-5-3-4-6-14(13)16(18)19-2/h3,5,7-10H,4,6H2,1-2H3