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

Systemtic Name: 2-ethanoylsulfanyl-2-[4-(2-methylsulfonylphenyl)phenyl]ethanoic acid Openeye Name: 2-acetylsulfanyl-2-[4-(2-methylsulfonylphenyl)phenyl]acetic acid CAS Name: 2-(acetylthio)-2-[4-(2-methylsulfonylphenyl)phenyl]acetic acid IUPAC Name: 2-acetylsulfanyl-2-[4-(2-methylsulfonylphenyl)phenyl]acetic acid Traditional Name: 2-(acetylthio)-2-[4-(2-mesylphenyl)phenyl]acetic acid Formula: C17H16O5S2 MolecularWeight: 364.43594

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)SC(C1=CC=C(C=C1)C2=CC=CC=C2S(=O)(=O)C)C(=O)O

Isomeric SMILES

CC(=O)SC(C1=CC=C(C=C1)C2=CC=CC=C2S(=O)(=O)C)C(=O)O

InChI

InChI=1S/C17H16O5S2/c1-11(18)23-16(17(19)20)13-9-7-12(8-10-13)14-5-3-4-6-15(14)24(2,21)22/h3-10,16H,1-2H3,(H,19,20)