2-[4-(phenylmethyl)phenyl]sulfanylpropanoic acid

Systemtic Name: 2-[4-(phenylmethyl)phenyl]sulfanylpropanoic acid Openeye Name: 2-(4-benzylphenyl)sulfanylpropanoic acid CAS Name: 2-[[4-(phenylmethyl)phenyl]thio]propanoic acid IUPAC Name: 2-(4-benzylphenyl)sulfanylpropanoic acid Traditional Name: 2-[(4-benzylphenyl)thio]propionic acid Formula: C16H16O2S MolecularWeight: 272.36204

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)O)SC1=CC=C(C=C1)CC2=CC=CC=C2

Isomeric SMILES

CC(C(=O)O)SC1=CC=C(C=C1)CC2=CC=CC=C2

InChI

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