2-ethanoylsulfanyl-2-(2-methylsulfonyl-4-phenyl-phenyl)ethanoic acid

Systemtic Name: 2-ethanoylsulfanyl-2-(2-methylsulfonyl-4-phenyl-phenyl)ethanoic acid Openeye Name: 2-acetylsulfanyl-2-(2-methylsulfonyl-4-phenyl-phenyl)acetic acid CAS Name: 2-(acetylthio)-2-(2-methylsulfonyl-4-phenylphenyl)acetic acid IUPAC Name: 2-acetylsulfanyl-2-(2-methylsulfonyl-4-phenylphenyl)acetic acid Traditional Name: 2-(acetylthio)-2-(2-mesyl-4-phenyl-phenyl)acetic acid Formula: C17H16O5S2 MolecularWeight: 364.43594

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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