2-ethanoylsulfanyl-3-(4-phenylphenyl)propanoic acid

Systemtic Name: 2-ethanoylsulfanyl-3-(4-phenylphenyl)propanoic acid Openeye Name: 2-acetylsulfanyl-3-(4-phenylphenyl)propanoic acid CAS Name: 2-(acetylthio)-3-(4-phenylphenyl)propanoic acid IUPAC Name: 2-acetylsulfanyl-3-(4-phenylphenyl)propanoic acid Traditional Name: 2-(acetylthio)-3-(4-phenylphenyl)propionic acid Formula: C17H16O3S MolecularWeight: 300.37214

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H16O3S/c1-12(18)21-16(17(19)20)11-13-7-9-15(10-8-13)14-5-3-2-4-6-14/h2-10,16H,11H2,1H3,(H,19,20)