(Z)-4-(4-bromanylbutoxycarbonyloxy)-3-(4-methylsulfonylphenyl)-2-phenyl-but-2-enoic acid

Systemtic Name: (Z)-4-(4-bromanylbutoxycarbonyloxy)-3-(4-methylsulfonylphenyl)-2-phenyl-but-2-enoic acid Openeye Name: (Z)-4-(4-bromobutoxycarbonyloxy)-3-(4-methylsulfonylphenyl)-2-phenyl-but-2-enoic acid CAS Name: (Z)-4-[4-bromobutoxy(oxo)methoxy]-3-(4-methylsulfonylphenyl)-2-phenyl-2-butenoic acid IUPAC Name: (Z)-4-(4-bromobutoxycarbonyloxy)-3-(4-methylsulfonylphenyl)-2-phenylbut-2-enoic acid Traditional Name: (Z)-4-(4-bromobutoxycarbonyloxy)-3-(4-mesylphenyl)-2-phenyl-but-2-enoic acid Formula: C22H23BrO7S MolecularWeight: 511.38282

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC=C(C=C1)C(=C(C2=CC=CC=C2)C(=O)O)COC(=O)OCCCCBr

Isomeric SMILES

CS(=O)(=O)C1=CC=C(C=C1)/C(=C(\C2=CC=CC=C2)/C(=O)O)/COC(=O)OCCCCBr

InChI

InChI=1S/C22H23BrO7S/c1-31(27,28)18-11-9-16(10-12-18)19(15-30-22(26)29-14-6-5-13-23)20(21(24)25)17-7-3-2-4-8-17/h2-4,7-12H,5-6,13-15H2,1H3,(H,24,25)/b20-19+