2-ethanoylsulfanyl-2-[4-(4-methylsulfonylphenyl)phenyl]propanoic acid

Systemtic Name: 2-ethanoylsulfanyl-2-[4-(4-methylsulfonylphenyl)phenyl]propanoic acid Openeye Name: 2-acetylsulfanyl-2-[4-(4-methylsulfonylphenyl)phenyl]propanoic acid CAS Name: 2-(acetylthio)-2-[4-(4-methylsulfonylphenyl)phenyl]propanoic acid IUPAC Name: 2-acetylsulfanyl-2-[4-(4-methylsulfonylphenyl)phenyl]propanoic acid Traditional Name: 2-(acetylthio)-2-[4-(4-mesylphenyl)phenyl]propionic acid Formula: C18H18O5S2 MolecularWeight: 378.46252

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H18O5S2/c1-12(19)24-18(2,17(20)21)15-8-4-13(5-9-15)14-6-10-16(11-7-14)25(3,22)23/h4-11H,1-3H3,(H,20,21)