2,2-bis(phenylsulfanyl)cyclohexane-1,3-dione

Systemtic Name: 2,2-bis(phenylsulfanyl)cyclohexane-1,3-dione Openeye Name: 2,2-bis(phenylsulfanyl)cyclohexane-1,3-dione CAS Name: 2,2-bis(phenylthio)cyclohexane-1,3-dione IUPAC Name: 2,2-bis(phenylsulfanyl)cyclohexane-1,3-dione Traditional Name: 2,2-bis(phenylthio)cyclohexane-1,3-quinone Formula: C18H16O2S2 MolecularWeight: 328.44844

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC(=O)C(C(=O)C1)(SC2=CC=CC=C2)SC3=CC=CC=C3

Isomeric SMILES

C1CC(=O)C(C(=O)C1)(SC2=CC=CC=C2)SC3=CC=CC=C3

InChI

InChI=1S/C18H16O2S2/c19-16-12-7-13-17(20)18(16,21-14-8-3-1-4-9-14)22-15-10-5-2-6-11-15/h1-6,8-11H,7,12-13H2