5-[1-(phenylmethylsulfanyl)cyclohexyl]cyclohexane-1,3-dione

Systemtic Name: 5-[1-(phenylmethylsulfanyl)cyclohexyl]cyclohexane-1,3-dione Openeye Name: 5-(1-benzylsulfanylcyclohexyl)cyclohexane-1,3-dione CAS Name: 5-[1-(phenylmethylthio)cyclohexyl]cyclohexane-1,3-dione IUPAC Name: 5-(1-benzylsulfanylcyclohexyl)cyclohexane-1,3-dione Traditional Name: 5-[1-(benzylthio)cyclohexyl]cyclohexane-1,3-quinone Formula: C19H24O2S MolecularWeight: 316.45766

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)(C2CC(=O)CC(=O)C2)SCC3=CC=CC=C3

Isomeric SMILES

C1CCC(CC1)(C2CC(=O)CC(=O)C2)SCC3=CC=CC=C3

InChI

InChI=1S/C19H24O2S/c20-17-11-16(12-18(21)13-17)19(9-5-2-6-10-19)22-14-15-7-3-1-4-8-15/h1,3-4,7-8,16H,2,5-6,9-14H2