2-ethanoylsulfanyl-4-(4-phenylphenyl)butanoic acid

Systemtic Name: 2-ethanoylsulfanyl-4-(4-phenylphenyl)butanoic acid Openeye Name: 2-acetylsulfanyl-4-(4-phenylphenyl)butanoic acid CAS Name: 2-(acetylthio)-4-(4-phenylphenyl)butanoic acid IUPAC Name: 2-acetylsulfanyl-4-(4-phenylphenyl)butanoic acid Traditional Name: 2-(acetylthio)-4-(4-phenylphenyl)butyric acid Formula: C18H18O3S MolecularWeight: 314.39872

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)SC(CCC1=CC=C(C=C1)C2=CC=CC=C2)C(=O)O

Isomeric SMILES

CC(=O)SC(CCC1=CC=C(C=C1)C2=CC=CC=C2)C(=O)O

InChI

InChI=1S/C18H18O3S/c1-13(19)22-17(18(20)21)12-9-14-7-10-16(11-8-14)15-5-3-2-4-6-15/h2-8,10-11,17H,9,12H2,1H3,(H,20,21)