2-(2,6-dimethylphenyl)-5,5-dimethyl-4-(4-methylsulfanylphenyl)cyclohexane-1,3-dione

Systemtic Name: 2-(2,6-dimethylphenyl)-5,5-dimethyl-4-(4-methylsulfanylphenyl)cyclohexane-1,3-dione Openeye Name: 2-(2,6-dimethylphenyl)-5,5-dimethyl-4-(4-methylsulfanylphenyl)cyclohexane-1,3-dione CAS Name: 2-(2,6-dimethylphenyl)-5,5-dimethyl-4-[4-(methylthio)phenyl]cyclohexane-1,3-dione IUPAC Name: 2-(2,6-dimethylphenyl)-5,5-dimethyl-4-(4-methylsulfanylphenyl)cyclohexane-1,3-dione Traditional Name: 2-(2,6-dimethylphenyl)-5,5-dimethyl-4-[4-(methylthio)phenyl]cyclohexane-1,3-quinone Formula: C23H26O2S MolecularWeight: 366.51634

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)C)C2C(=O)CC(C(C2=O)C3=CC=C(C=C3)SC)(C)C

Isomeric SMILES

CC1=C(C(=CC=C1)C)C2C(=O)CC(C(C2=O)C3=CC=C(C=C3)SC)(C)C

InChI

InChI=1S/C23H26O2S/c1-14-7-6-8-15(2)19(14)20-18(24)13-23(3,4)21(22(20)25)16-9-11-17(26-5)12-10-16/h6-12,20-21H,13H2,1-5H3