5-(3-chlorophenyl)-2-phenethylsulfanyl-cyclohexane-1,3-dione

Systemtic Name: 5-(3-chlorophenyl)-2-phenethylsulfanyl-cyclohexane-1,3-dione Openeye Name: 5-(3-chlorophenyl)-2-phenethylsulfanyl-cyclohexane-1,3-dione CAS Name: 5-(3-chlorophenyl)-2-(phenethylthio)cyclohexane-1,3-dione IUPAC Name: 5-(3-chlorophenyl)-2-phenethylsulfanylcyclohexane-1,3-dione Traditional Name: 5-(3-chlorophenyl)-2-(phenethylthio)cyclohexane-1,3-quinone Formula: C20H19ClO2S MolecularWeight: 358.88166

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Descriptors Computed from Structure

Canonical SMILES:

C1C(CC(=O)C(C1=O)SCCC2=CC=CC=C2)C3=CC(=CC=C3)Cl

Isomeric SMILES

C1C(CC(=O)C(C1=O)SCCC2=CC=CC=C2)C3=CC(=CC=C3)Cl

InChI

InChI=1S/C20H19ClO2S/c21-17-8-4-7-15(11-17)16-12-18(22)20(19(23)13-16)24-10-9-14-5-2-1-3-6-14/h1-8,11,16,20H,9-10,12-13H2