(3S,4S)-3-methyl-4-phenylsulfanyl-octanoic acid

Systemtic Name: (3S,4S)-3-methyl-4-phenylsulfanyl-octanoic acid Openeye Name: (3S,4S)-3-methyl-4-phenylsulfanyl-octanoic acid CAS Name: (3S,4S)-3-methyl-4-(phenylthio)octanoic acid IUPAC Name: (3S,4S)-3-methyl-4-phenylsulfanyloctanoic acid Traditional Name: (3S,4S)-3-methyl-4-(phenylthio)caprylic acid Formula: C15H22O2S MolecularWeight: 266.39898

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H22O2S/c1-3-4-10-14(12(2)11-15(16)17)18-13-8-6-5-7-9-13/h5-9,12,14H,3-4,10-11H2,1-2H3,(H,16,17)/t12-,14-/m0/s1