2-[3,5-dimethyl-2-(4-methylsulfanylphenyl)phenyl]-2-oxidanyl-1,2-diphenyl-ethanone

Systemtic Name: 2-[3,5-dimethyl-2-(4-methylsulfanylphenyl)phenyl]-2-oxidanyl-1,2-diphenyl-ethanone Openeye Name: 2-[3,5-dimethyl-2-(4-methylsulfanylphenyl)phenyl]-2-hydroxy-1,2-diphenyl-ethanone CAS Name: 2-[3,5-dimethyl-2-[4-(methylthio)phenyl]phenyl]-2-hydroxy-1,2-diphenylethanone IUPAC Name: 2-[3,5-dimethyl-2-(4-methylsulfanylphenyl)phenyl]-2-hydroxy-1,2-diphenylethanone Traditional Name: 2-[3,5-dimethyl-2-[4-(methylthio)phenyl]phenyl]-2-hydroxy-1,2-diphenyl-ethanone Formula: C29H26O2S MolecularWeight: 438.58054

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C(C2=CC=CC=C2)(C(=O)C3=CC=CC=C3)O)C4=CC=C(C=C4)SC)C

Isomeric SMILES

CC1=CC(=C(C(=C1)C(C2=CC=CC=C2)(C(=O)C3=CC=CC=C3)O)C4=CC=C(C=C4)SC)C

InChI

InChI=1S/C29H26O2S/c1-20-18-21(2)27(22-14-16-25(32-3)17-15-22)26(19-20)29(31,24-12-8-5-9-13-24)28(30)23-10-6-4-7-11-23/h4-19,31H,1-3H3