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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H16O2S/c1-12-2-4-13(5-3-12)14-6-8-15(9-7-14)19-11-10-16(17)18/h2-9H,10-11H2,1H3,(H,17,18)