(2S,3S,4R)-2-methyl-4-phenylsulfanyl-heptane-1,3-diol

Systemtic Name: (2S,3S,4R)-2-methyl-4-phenylsulfanyl-heptane-1,3-diol Openeye Name: (2S,3S,4R)-2-methyl-4-phenylsulfanyl-heptane-1,3-diol CAS Name: (2S,3S,4R)-2-methyl-4-(phenylthio)heptane-1,3-diol IUPAC Name: (2S,3S,4R)-2-methyl-4-phenylsulfanylheptane-1,3-diol Traditional Name: (2S,3S,4R)-2-methyl-4-(phenylthio)heptane-1,3-diol Formula: C14H22O2S MolecularWeight: 254.38828

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C(C(C)CO)O)SC1=CC=CC=C1

Isomeric SMILES

CCC[C@H]([C@H]([C@@H](C)CO)O)SC1=CC=CC=C1

InChI

InChI=1S/C14H22O2S/c1-3-7-13(14(16)11(2)10-15)17-12-8-5-4-6-9-12/h4-6,8-9,11,13-16H,3,7,10H2,1-2H3/t11-,13+,14-/m0/s1