[2-(4-chlorophenyl)sulfanyl-5,5-dimethyl-3-oxidanylidene-cyclohexen-1-yl] 4-fluoranylbenzoate

Systemtic Name: [2-(4-chlorophenyl)sulfanyl-5,5-dimethyl-3-oxidanylidene-cyclohexen-1-yl] 4-fluoranylbenzoate Openeye Name: [2-(4-chlorophenyl)sulfanyl-5,5-dimethyl-3-oxo-cyclohexen-1-yl] 4-fluorobenzoate CAS Name: 4-fluorobenzoic acid [2-[(4-chlorophenyl)thio]-5,5-dimethyl-3-oxo-1-cyclohexenyl] ester IUPAC Name: [2-(4-chlorophenyl)sulfanyl-5,5-dimethyl-3-oxocyclohexen-1-yl] 4-fluorobenzoate Traditional Name: 4-fluorobenzoic acid [2-[(4-chlorophenyl)thio]-3-keto-5,5-dimethyl-cyclohexen-1-yl] ester Formula: C21H18ClFO3S MolecularWeight: 404.882223

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1(CC(=C(C(=O)C1)SC2=CC=C(C=C2)Cl)OC(=O)C3=CC=C(C=C3)F)C

Isomeric SMILES

CC1(CC(=C(C(=O)C1)SC2=CC=C(C=C2)Cl)OC(=O)C3=CC=C(C=C3)F)C

InChI

InChI=1S/C21H18ClFO3S/c1-21(2)11-17(24)19(27-16-9-5-14(22)6-10-16)18(12-21)26-20(25)13-3-7-15(23)8-4-13/h3-10H,11-12H2,1-2H3