(3S,4S)-3-butyl-4-(phenylmethylsulfanyl)cyclopentan-1-one

Systemtic Name: (3S,4S)-3-butyl-4-(phenylmethylsulfanyl)cyclopentan-1-one Openeye Name: (3S,4S)-3-benzylsulfanyl-4-butyl-cyclopentanone CAS Name: (3S,4S)-3-butyl-4-(phenylmethylthio)-1-cyclopentanone IUPAC Name: (3S,4S)-3-benzylsulfanyl-4-butylcyclopentan-1-one Traditional Name: (3S,4S)-3-(benzylthio)-4-butyl-cyclopentanone Formula: C16H22OS MolecularWeight: 262.41028

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1CC(=O)CC1SCC2=CC=CC=C2

Isomeric SMILES

CCCC[C@H]1CC(=O)C[C@@H]1SCC2=CC=CC=C2

InChI

InChI=1S/C16H22OS/c1-2-3-9-14-10-15(17)11-16(14)18-12-13-7-5-4-6-8-13/h4-8,14,16H,2-3,9-12H2,1H3/t14-,16-/m0/s1