O-[2-(2,4-dimethylphenyl)-5,5-dimethyl-3-oxidanylidene-cyclohexen-1-yl] 3-methylbenzenecarbothioate

Systemtic Name: O-[2-(2,4-dimethylphenyl)-5,5-dimethyl-3-oxidanylidene-cyclohexen-1-yl] 3-methylbenzenecarbothioate Openeye Name: O-[2-(2,4-dimethylphenyl)-5,5-dimethyl-3-oxo-cyclohexen-1-yl] 3-methylbenzenecarbothioate CAS Name: 3-methylbenzenecarbothioic acid O-[2-(2,4-dimethylphenyl)-5,5-dimethyl-3-oxo-1-cyclohexenyl] ester IUPAC Name: O-[2-(2,4-dimethylphenyl)-5,5-dimethyl-3-oxocyclohexen-1-yl] 3-methylbenzenecarbothioate Traditional Name: 3-methylthiobenzoic acid O-[2-(2,4-dimethylphenyl)-3-keto-5,5-dimethyl-cyclohexen-1-yl] ester Formula: C24H26O2S MolecularWeight: 378.52704

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C2=C(CC(CC2=O)(C)C)OC(=S)C3=CC(=CC=C3)C)C

Isomeric SMILES

CC1=CC(=C(C=C1)C2=C(CC(CC2=O)(C)C)OC(=S)C3=CC(=CC=C3)C)C

InChI

InChI=1S/C24H26O2S/c1-15-7-6-8-18(12-15)23(27)26-21-14-24(4,5)13-20(25)22(21)19-10-9-16(2)11-17(19)3/h6-12H,13-14H2,1-5H3