(3R,4S)-4-oxidanyl-3-(phenylsulfanylmethyl)hexan-2-one

Systemtic Name: (3R,4S)-4-oxidanyl-3-(phenylsulfanylmethyl)hexan-2-one Openeye Name: (3R,4S)-4-hydroxy-3-(phenylsulfanylmethyl)hexan-2-one CAS Name: (3R,4S)-4-hydroxy-3-[(phenylthio)methyl]-2-hexanone IUPAC Name: (3R,4S)-4-hydroxy-3-(phenylsulfanylmethyl)hexan-2-one Traditional Name: (3R,4S)-4-hydroxy-3-[(phenylthio)methyl]hexan-2-one Formula: C13H18O2S MolecularWeight: 238.34582

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(CSC1=CC=CC=C1)C(=O)C)O

Isomeric SMILES

CC[C@@H]([C@@H](CSC1=CC=CC=C1)C(=O)C)O

InChI

InChI=1S/C13H18O2S/c1-3-13(15)12(10(2)14)9-16-11-7-5-4-6-8-11/h4-8,12-13,15H,3,9H2,1-2H3/t12-,13-/m0/s1