(Z)-3-ethoxycarbonyl-4-(4-methylsulfonylphenyl)-4-[4-(trifluoromethyl)phenyl]but-3-enoic acid

Systemtic Name: (Z)-3-ethoxycarbonyl-4-(4-methylsulfonylphenyl)-4-[4-(trifluoromethyl)phenyl]but-3-enoic acid Openeye Name: (Z)-3-ethoxycarbonyl-4-(4-methylsulfonylphenyl)-4-[4-(trifluoromethyl)phenyl]but-3-enoic acid CAS Name: (Z)-3-ethoxycarbonyl-4-(4-methylsulfonylphenyl)-4-[4-(trifluoromethyl)phenyl]-3-butenoic acid IUPAC Name: (Z)-3-ethoxycarbonyl-4-(4-methylsulfonylphenyl)-4-[4-(trifluoromethyl)phenyl]but-3-enoic acid Traditional Name: (Z)-3-carbethoxy-4-(4-mesylphenyl)-4-[4-(trifluoromethyl)phenyl]but-3-enoic acid Formula: C21H19F3O6S MolecularWeight: 456.43217

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H19F3O6S/c1-3-30-20(27)17(12-18(25)26)19(13-4-8-15(9-5-13)21(22,23)24)14-6-10-16(11-7-14)31(2,28)29/h4-11H,3,12H2,1-2H3,(H,25,26)/b19-17-