ethyl (1S,6S)-6-(4-ethylphenyl)-4-(4-methylphenyl)-2-oxidanylidene-cyclohex-3-ene-1-carboxylate

Systemtic Name: ethyl (1S,6S)-6-(4-ethylphenyl)-4-(4-methylphenyl)-2-oxidanylidene-cyclohex-3-ene-1-carboxylate Openeye Name: ethyl (1S,6S)-6-(4-ethylphenyl)-2-oxo-4-(p-tolyl)cyclohex-3-ene-1-carboxylate CAS Name: (1S,6S)-6-(4-ethylphenyl)-4-(4-methylphenyl)-2-oxo-1-cyclohex-3-enecarboxylic acid ethyl ester IUPAC Name: ethyl (1S,6S)-6-(4-ethylphenyl)-4-(4-methylphenyl)-2-oxocyclohex-3-ene-1-carboxylate Traditional Name: (1S,6S)-6-(4-ethylphenyl)-2-keto-4-(p-tolyl)cyclohex-3-ene-1-carboxylic acid ethyl ester Formula: C24H26O3 MolecularWeight: 362.46144

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C2CC(=CC(=O)C2C(=O)OCC)C3=CC=C(C=C3)C

Isomeric SMILES

CCC1=CC=C(C=C1)[C@H]2CC(=CC(=O)[C@H]2C(=O)OCC)C3=CC=C(C=C3)C

InChI

InChI=1S/C24H26O3/c1-4-17-8-12-19(13-9-17)21-14-20(18-10-6-16(3)7-11-18)15-22(25)23(21)24(26)27-5-2/h6-13,15,21,23H,4-5,14H2,1-3H3/t21-,23+/m1/s1