3-(2-ethanoyl-3-phenyl-phenyl)sulfanylpropanoic acid

Systemtic Name: 3-(2-ethanoyl-3-phenyl-phenyl)sulfanylpropanoic acid Openeye Name: 3-(2-acetyl-3-phenyl-phenyl)sulfanylpropanoic acid CAS Name: 3-[(2-acetyl-3-phenylphenyl)thio]propanoic acid IUPAC Name: 3-(2-acetyl-3-phenylphenyl)sulfanylpropanoic acid Traditional Name: 3-[(2-acetyl-3-phenyl-phenyl)thio]propionic acid Formula: C17H16O3S MolecularWeight: 300.37214

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=C(C=CC=C1SCCC(=O)O)C2=CC=CC=C2

Isomeric SMILES

CC(=O)C1=C(C=CC=C1SCCC(=O)O)C2=CC=CC=C2

InChI

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