(4S,5R)-2,5-dimethyl-5-(phenylmethylsulfanyl)heptane-2,4-diol

Systemtic Name: (4S,5R)-2,5-dimethyl-5-(phenylmethylsulfanyl)heptane-2,4-diol Openeye Name: (4S,5R)-5-benzylsulfanyl-2,5-dimethyl-heptane-2,4-diol CAS Name: (4S,5R)-2,5-dimethyl-5-(phenylmethylthio)heptane-2,4-diol IUPAC Name: (4S,5R)-5-benzylsulfanyl-2,5-dimethylheptane-2,4-diol Traditional Name: (4S,5R)-5-(benzylthio)-2,5-dimethyl-heptane-2,4-diol Formula: C16H26O2S MolecularWeight: 282.44144

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H26O2S/c1-5-16(4,14(17)11-15(2,3)18)19-12-13-9-7-6-8-10-13/h6-10,14,17-18H,5,11-12H2,1-4H3/t14-,16+/m0/s1