(2S,3R)-2-oxidanyl-3-phenylsulfanyl-heptanoic acid

Systemtic Name: (2S,3R)-2-oxidanyl-3-phenylsulfanyl-heptanoic acid Openeye Name: (2S,3R)-2-hydroxy-3-phenylsulfanyl-heptanoic acid CAS Name: (2S,3R)-2-hydroxy-3-(phenylthio)heptanoic acid IUPAC Name: (2S,3R)-2-hydroxy-3-phenylsulfanylheptanoic acid Traditional Name: (2S,3R)-2-hydroxy-3-(phenylthio)enanthic acid Formula: C13H18O3S MolecularWeight: 254.34522

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H18O3S/c1-2-3-9-11(12(14)13(15)16)17-10-7-5-4-6-8-10/h4-8,11-12,14H,2-3,9H2,1H3,(H,15,16)/t11-,12-/m1/s1