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

Systemtic Name: 2-(ethanoylsulfanylmethyl)-3-(4-phenylphenyl)propanoic acid Openeye Name: 2-(acetylsulfanylmethyl)-3-(4-phenylphenyl)propanoic acid CAS Name: 2-[(acetylthio)methyl]-3-(4-phenylphenyl)propanoic acid IUPAC Name: 2-(acetylsulfanylmethyl)-3-(4-phenylphenyl)propanoic acid Traditional Name: 2-[(acetylthio)methyl]-3-(4-phenylphenyl)propionic acid Formula: C18H18O3S MolecularWeight: 314.39872

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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