(3S,4R)-2,2,6-trimethyl-4-phenylsulfanyl-heptane-1,3-diol

Systemtic Name: (3S,4R)-2,2,6-trimethyl-4-phenylsulfanyl-heptane-1,3-diol Openeye Name: (3S,4R)-2,2,6-trimethyl-4-phenylsulfanyl-heptane-1,3-diol CAS Name: (3S,4R)-2,2,6-trimethyl-4-(phenylthio)heptane-1,3-diol IUPAC Name: (3S,4R)-2,2,6-trimethyl-4-phenylsulfanylheptane-1,3-diol Traditional Name: (3S,4R)-2,2,6-trimethyl-4-(phenylthio)heptane-1,3-diol Formula: C16H26O2S MolecularWeight: 282.44144

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H26O2S/c1-12(2)10-14(15(18)16(3,4)11-17)19-13-8-6-5-7-9-13/h5-9,12,14-15,17-18H,10-11H2,1-4H3/t14-,15-/m1/s1