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

Systemtic Name: (3S,4S)-3-methyl-4-phenylsulfanyl-nonanoic acid Openeye Name: (3S,4S)-3-methyl-4-phenylsulfanyl-nonanoic acid CAS Name: (3S,4S)-3-methyl-4-(phenylthio)nonanoic acid IUPAC Name: (3S,4S)-3-methyl-4-phenylsulfanylnonanoic acid Traditional Name: (3S,4S)-3-methyl-4-(phenylthio)pelargonic acid Formula: C16H24O2S MolecularWeight: 280.42556

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H24O2S/c1-3-4-6-11-15(13(2)12-16(17)18)19-14-9-7-5-8-10-14/h5,7-10,13,15H,3-4,6,11-12H2,1-2H3,(H,17,18)/t13-,15-/m0/s1