(2S)-2-[4-(3-methylphenyl)phenyl]sulfanylpropanoic acid

Systemtic Name: (2S)-2-[4-(3-methylphenyl)phenyl]sulfanylpropanoic acid Openeye Name: (2S)-2-[4-(m-tolyl)phenyl]sulfanylpropanoic acid CAS Name: (2S)-2-[[4-(3-methylphenyl)phenyl]thio]propanoic acid IUPAC Name: (2S)-2-[4-(3-methylphenyl)phenyl]sulfanylpropanoic acid Traditional Name: (2S)-2-[[4-(m-tolyl)phenyl]thio]propionic acid Formula: C16H16O2S MolecularWeight: 272.36204

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C2=CC=C(C=C2)SC(C)C(=O)O

Isomeric SMILES

CC1=CC=CC(=C1)C2=CC=C(C=C2)S[C@@H](C)C(=O)O

InChI

InChI=1S/C16H16O2S/c1-11-4-3-5-14(10-11)13-6-8-15(9-7-13)19-12(2)16(17)18/h3-10,12H,1-2H3,(H,17,18)/t12-/m0/s1