(4S,5R)-5-methyl-4-oxidanyl-5-(phenylmethylsulfanyl)heptan-2-one

Systemtic Name: (4S,5R)-5-methyl-4-oxidanyl-5-(phenylmethylsulfanyl)heptan-2-one Openeye Name: (4S,5R)-5-benzylsulfanyl-4-hydroxy-5-methyl-heptan-2-one CAS Name: (4S,5R)-4-hydroxy-5-methyl-5-(phenylmethylthio)-2-heptanone IUPAC Name: (4S,5R)-5-benzylsulfanyl-4-hydroxy-5-methylheptan-2-one Traditional Name: (4S,5R)-5-(benzylthio)-4-hydroxy-5-methyl-heptan-2-one Formula: C15H22O2S MolecularWeight: 266.39898

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)(C(CC(=O)C)O)SCC1=CC=CC=C1

Isomeric SMILES

CC[C@](C)([C@H](CC(=O)C)O)SCC1=CC=CC=C1

InChI

InChI=1S/C15H22O2S/c1-4-15(3,14(17)10-12(2)16)18-11-13-8-6-5-7-9-13/h5-9,14,17H,4,10-11H2,1-3H3/t14-,15+/m0/s1