2-[4-(2-bromanylethanoyl)-2-(carboxymethyloxy)phenoxy]-2-tert-butyl-3,3-dimethyl-butanoic acid

Systemtic Name: 2-[4-(2-bromanylethanoyl)-2-(carboxymethyloxy)phenoxy]-2-tert-butyl-3,3-dimethyl-butanoic acid Openeye Name: 2-[4-(2-bromoacetyl)-2-(carboxymethyloxy)phenoxy]-2-tert-butyl-3,3-dimethyl-butanoic acid CAS Name: 2-[4-(2-bromo-1-oxoethyl)-2-(carboxymethyloxy)phenoxy]-2-tert-butyl-3,3-dimethylbutanoic acid IUPAC Name: 2-[4-(2-bromoacetyl)-2-(carboxymethyloxy)phenoxy]-2-tert-butyl-3,3-dimethylbutanoic acid Traditional Name: 2-[4-(2-bromoacetyl)-2-(carboxymethyloxy)phenoxy]-2-tert-butyl-3,3-dimethyl-butyric acid Formula: C20H27BrO7 MolecularWeight: 459.32818

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(C(=O)O)(C(C)(C)C)OC1=C(C=C(C=C1)C(=O)CBr)OCC(=O)O

Isomeric SMILES

CC(C)(C)C(C(=O)O)(C(C)(C)C)OC1=C(C=C(C=C1)C(=O)CBr)OCC(=O)O

InChI

InChI=1S/C20H27BrO7/c1-18(2,3)20(17(25)26,19(4,5)6)28-14-8-7-12(13(22)10-21)9-15(14)27-11-16(23)24/h7-9H,10-11H2,1-6H3,(H,23,24)(H,25,26)