(2S,3S)-2-methyl-3-phenylsulfanyl-heptanoic acid

Systemtic Name: (2S,3S)-2-methyl-3-phenylsulfanyl-heptanoic acid Openeye Name: (2S,3S)-2-methyl-3-phenylsulfanyl-heptanoic acid CAS Name: (2S,3S)-2-methyl-3-(phenylthio)heptanoic acid IUPAC Name: (2S,3S)-2-methyl-3-phenylsulfanylheptanoic acid Traditional Name: (2S,3S)-2-methyl-3-(phenylthio)enanthic acid Formula: C14H20O2S MolecularWeight: 252.3724

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H20O2S/c1-3-4-10-13(11(2)14(15)16)17-12-8-6-5-7-9-12/h5-9,11,13H,3-4,10H2,1-2H3,(H,15,16)/t11-,13+/m1/s1