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

Systemtic Name: 5-[1-(phenylmethylsulfanyl)cyclopropyl]cyclohexane-1,3-dione Openeye Name: 5-(1-benzylsulfanylcyclopropyl)cyclohexane-1,3-dione CAS Name: 5-[1-(phenylmethylthio)cyclopropyl]cyclohexane-1,3-dione IUPAC Name: 5-(1-benzylsulfanylcyclopropyl)cyclohexane-1,3-dione Traditional Name: 5-[1-(benzylthio)cyclopropyl]cyclohexane-1,3-quinone Formula: C16H18O2S MolecularWeight: 274.37792

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1(C2CC(=O)CC(=O)C2)SCC3=CC=CC=C3

Isomeric SMILES

C1CC1(C2CC(=O)CC(=O)C2)SCC3=CC=CC=C3

InChI

InChI=1S/C16H18O2S/c17-14-8-13(9-15(18)10-14)16(6-7-16)19-11-12-4-2-1-3-5-12/h1-5,13H,6-11H2