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

Systemtic Name: 2,2-bis(phenylsulfanyl)cycloheptane-1,3-dione Openeye Name: 2,2-bis(phenylsulfanyl)cycloheptane-1,3-dione CAS Name: 2,2-bis(phenylthio)cycloheptane-1,3-dione IUPAC Name: 2,2-bis(phenylsulfanyl)cycloheptane-1,3-dione Traditional Name: 2,2-bis(phenylthio)cycloheptane-1,3-quinone Formula: C19H18O2S2 MolecularWeight: 342.47502

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(=O)C(C(=O)C1)(SC2=CC=CC=C2)SC3=CC=CC=C3

Isomeric SMILES

C1CCC(=O)C(C(=O)C1)(SC2=CC=CC=C2)SC3=CC=CC=C3

InChI

InChI=1S/C19H18O2S2/c20-17-13-7-8-14-18(21)19(17,22-15-9-3-1-4-10-15)23-16-11-5-2-6-12-16/h1-6,9-12H,7-8,13-14H2