2-(4-bromophenyl)sulfanyl-5,5-dimethyl-cyclohexane-1,3-dione

Systemtic Name: 2-(4-bromophenyl)sulfanyl-5,5-dimethyl-cyclohexane-1,3-dione Openeye Name: 2-(4-bromophenyl)sulfanyl-5,5-dimethyl-cyclohexane-1,3-dione CAS Name: 2-[(4-bromophenyl)thio]-5,5-dimethylcyclohexane-1,3-dione IUPAC Name: 2-(4-bromophenyl)sulfanyl-5,5-dimethylcyclohexane-1,3-dione Traditional Name: 2-[(4-bromophenyl)thio]-5,5-dimethyl-cyclohexane-1,3-quinone Formula: C14H15BrO2S MolecularWeight: 327.2367

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1(CC(=O)C(C(=O)C1)SC2=CC=C(C=C2)Br)C

Isomeric SMILES

CC1(CC(=O)C(C(=O)C1)SC2=CC=C(C=C2)Br)C

InChI

InChI=1S/C14H15BrO2S/c1-14(2)7-11(16)13(12(17)8-14)18-10-5-3-9(15)4-6-10/h3-6,13H,7-8H2,1-2H3