(3S,4R)-4-phenylsulfanylheptane-1,3-diol

Systemtic Name: (3S,4R)-4-phenylsulfanylheptane-1,3-diol Openeye Name: (3S,4R)-4-phenylsulfanylheptane-1,3-diol CAS Name: (3S,4R)-4-(phenylthio)heptane-1,3-diol IUPAC Name: (3S,4R)-4-phenylsulfanylheptane-1,3-diol Traditional Name: (3S,4R)-4-(phenylthio)heptane-1,3-diol Formula: C13H20O2S MolecularWeight: 240.3617

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H20O2S/c1-2-6-13(12(15)9-10-14)16-11-7-4-3-5-8-11/h3-5,7-8,12-15H,2,6,9-10H2,1H3/t12-,13+/m0/s1