(2S)-2-(3-phenylpropylsulfanyl)propanoate

Systemtic Name: (2S)-2-(3-phenylpropylsulfanyl)propanoate Openeye Name: (2S)-2-(3-phenylpropylsulfanyl)propanoate CAS Name: (2S)-2-(3-phenylpropylthio)propanoate IUPAC Name: (2S)-2-(3-phenylpropylsulfanyl)propanoate Traditional Name: (2S)-2-(3-phenylpropylthio)propionate Formula: C12H15O2S- MolecularWeight: 223.3113

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)[O-])SCCCC1=CC=CC=C1

Isomeric SMILES

C[C@@H](C(=O)[O-])SCCCC1=CC=CC=C1

InChI

InChI=1S/C12H16O2S/c1-10(12(13)14)15-9-5-8-11-6-3-2-4-7-11/h2-4,6-7,10H,5,8-9H2,1H3,(H,13,14)/p-1/t10-/m0/s1