2-(4-ethyl-2-methyl-phenyl)-4-(phenylsulfinylmethyl)cyclopentane-1,3-dione

Systemtic Name: 2-(4-ethyl-2-methyl-phenyl)-4-(phenylsulfinylmethyl)cyclopentane-1,3-dione Openeye Name: 4-(benzenesulfinylmethyl)-2-(4-ethyl-2-methyl-phenyl)cyclopentane-1,3-dione CAS Name: 4-(benzenesulfinylmethyl)-2-(4-ethyl-2-methylphenyl)cyclopentane-1,3-dione IUPAC Name: 4-(benzenesulfinylmethyl)-2-(4-ethyl-2-methylphenyl)cyclopentane-1,3-dione Traditional Name: 4-(benzenesulfinylmethyl)-2-(4-ethyl-2-methyl-phenyl)cyclopentane-1,3-quinone Formula: C21H22O3S MolecularWeight: 354.46258

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=C(C=C1)C2C(=O)CC(C2=O)CS(=O)C3=CC=CC=C3)C

Isomeric SMILES

CCC1=CC(=C(C=C1)C2C(=O)CC(C2=O)CS(=O)C3=CC=CC=C3)C

InChI

InChI=1S/C21H22O3S/c1-3-15-9-10-18(14(2)11-15)20-19(22)12-16(21(20)23)13-25(24)17-7-5-4-6-8-17/h4-11,16,20H,3,12-13H2,1-2H3