3-[(4-phenylphenyl)methylsulfanyl]propanoic acid

Systemtic Name: 3-[(4-phenylphenyl)methylsulfanyl]propanoic acid Openeye Name: 3-[(4-phenylphenyl)methylsulfanyl]propanoic acid CAS Name: 3-[(4-phenylphenyl)methylthio]propanoic acid IUPAC Name: 3-[(4-phenylphenyl)methylsulfanyl]propanoic acid Traditional Name: 3-[(4-phenylbenzyl)thio]propionic acid Formula: C16H16O2S MolecularWeight: 272.36204

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=CC=C(C=C2)CSCCC(=O)O

Isomeric SMILES

C1=CC=C(C=C1)C2=CC=C(C=C2)CSCCC(=O)O

InChI

InChI=1S/C16H16O2S/c17-16(18)10-11-19-12-13-6-8-15(9-7-13)14-4-2-1-3-5-14/h1-9H,10-12H2,(H,17,18)