2-(4-chlorophenyl)sulfanyl-5-phenyl-cyclohexane-1,3-dione

Systemtic Name: 2-(4-chlorophenyl)sulfanyl-5-phenyl-cyclohexane-1,3-dione Openeye Name: 2-(4-chlorophenyl)sulfanyl-5-phenyl-cyclohexane-1,3-dione CAS Name: 2-[(4-chlorophenyl)thio]-5-phenylcyclohexane-1,3-dione IUPAC Name: 2-(4-chlorophenyl)sulfanyl-5-phenylcyclohexane-1,3-dione Traditional Name: 2-[(4-chlorophenyl)thio]-5-phenyl-cyclohexane-1,3-quinone Formula: C18H15ClO2S MolecularWeight: 330.8285

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Descriptors Computed from Structure

Canonical SMILES:

C1C(CC(=O)C(C1=O)SC2=CC=C(C=C2)Cl)C3=CC=CC=C3

Isomeric SMILES

C1C(CC(=O)C(C1=O)SC2=CC=C(C=C2)Cl)C3=CC=CC=C3

InChI

InChI=1S/C18H15ClO2S/c19-14-6-8-15(9-7-14)22-18-16(20)10-13(11-17(18)21)12-4-2-1-3-5-12/h1-9,13,18H,10-11H2