(Z)-4-(4-bromophenyl)-3-ethoxycarbonyl-4-(4-methylsulfonylphenyl)but-3-enoic acid

Systemtic Name: (Z)-4-(4-bromophenyl)-3-ethoxycarbonyl-4-(4-methylsulfonylphenyl)but-3-enoic acid Openeye Name: (Z)-4-(4-bromophenyl)-3-ethoxycarbonyl-4-(4-methylsulfonylphenyl)but-3-enoic acid CAS Name: (Z)-4-(4-bromophenyl)-3-ethoxycarbonyl-4-(4-methylsulfonylphenyl)-3-butenoic acid IUPAC Name: (Z)-4-(4-bromophenyl)-3-ethoxycarbonyl-4-(4-methylsulfonylphenyl)but-3-enoic acid Traditional Name: (Z)-4-(4-bromophenyl)-3-carbethoxy-4-(4-mesylphenyl)but-3-enoic acid Formula: C20H19BrO6S MolecularWeight: 467.33026

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H19BrO6S/c1-3-27-20(24)17(12-18(22)23)19(13-4-8-15(21)9-5-13)14-6-10-16(11-7-14)28(2,25)26/h4-11H,3,12H2,1-2H3,(H,22,23)/b19-17+