(Z)-4-acetyloxy-2-(3-fluorophenyl)-4-methyl-3-(4-methylsulfonylphenyl)pent-2-enoic acid

Systemtic Name: (Z)-4-acetyloxy-2-(3-fluorophenyl)-4-methyl-3-(4-methylsulfonylphenyl)pent-2-enoic acid Openeye Name: (Z)-4-acetoxy-2-(3-fluorophenyl)-4-methyl-3-(4-methylsulfonylphenyl)pent-2-enoic acid CAS Name: (Z)-4-acetyloxy-2-(3-fluorophenyl)-4-methyl-3-(4-methylsulfonylphenyl)-2-pentenoic acid IUPAC Name: (Z)-4-acetyloxy-2-(3-fluorophenyl)-4-methyl-3-(4-methylsulfonylphenyl)pent-2-enoic acid Traditional Name: (Z)-4-acetoxy-2-(3-fluorophenyl)-3-(4-mesylphenyl)-4-methyl-pent-2-enoic acid Formula: C21H21FO6S MolecularWeight: 420.451243

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC(C)(C)C(=C(C1=CC(=CC=C1)F)C(=O)O)C2=CC=C(C=C2)S(=O)(=O)C

Isomeric SMILES

CC(=O)OC(C)(C)/C(=C(/C1=CC(=CC=C1)F)\C(=O)O)/C2=CC=C(C=C2)S(=O)(=O)C

InChI

InChI=1S/C21H21FO6S/c1-13(23)28-21(2,3)19(14-8-10-17(11-9-14)29(4,26)27)18(20(24)25)15-6-5-7-16(22)12-15/h5-12H,1-4H3,(H,24,25)/b19-18-