(3S,4S)-3-methoxy-3-methyl-4-(phenylsulfinyl)cyclopentan-1-one

Systemtic Name: (3S,4S)-3-methoxy-3-methyl-4-(phenylsulfinyl)cyclopentan-1-one Openeye Name: (3S,4S)-4-(benzenesulfinyl)-3-methoxy-3-methyl-cyclopentanone CAS Name: (3S,4S)-4-(benzenesulfinyl)-3-methoxy-3-methyl-1-cyclopentanone IUPAC Name: (3S,4S)-4-(benzenesulfinyl)-3-methoxy-3-methylcyclopentan-1-one Traditional Name: (3S,4S)-4-(benzenesulfinyl)-3-methoxy-3-methyl-cyclopentanone Formula: C13H16O3S MolecularWeight: 252.32934

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC(=O)CC1S(=O)C2=CC=CC=C2)OC

Isomeric SMILES

C[C@@]1(CC(=O)C[C@@H]1S(=O)C2=CC=CC=C2)OC

InChI

InChI=1S/C13H16O3S/c1-13(16-2)9-10(14)8-12(13)17(15)11-6-4-3-5-7-11/h3-7,12H,8-9H2,1-2H3/t12-,13-,17?/m0/s1