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

Systemtic Name: 2,2-bis(phenylmethylsulfanyl)cyclohexane-1,3-dione Openeye Name: 2,2-bis(benzylsulfanyl)cyclohexane-1,3-dione CAS Name: 2,2-bis(phenylmethylthio)cyclohexane-1,3-dione IUPAC Name: 2,2-bis(benzylsulfanyl)cyclohexane-1,3-dione Traditional Name: 2,2-bis(benzylthio)cyclohexane-1,3-quinone Formula: C20H20O2S2 MolecularWeight: 356.5016

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(=O)C(C(=O)C1)(SCC2=CC=CC=C2)SCC3=CC=CC=C3

Isomeric SMILES

C1CC(=O)C(C(=O)C1)(SCC2=CC=CC=C2)SCC3=CC=CC=C3

InChI

InChI=1S/C20H20O2S2/c21-18-12-7-13-19(22)20(18,23-14-16-8-3-1-4-9-16)24-15-17-10-5-2-6-11-17/h1-6,8-11H,7,12-15H2