4-bromanyl-2,2-dimethyl-3-oxidanylidene-4-[2,4,5-tris(chloranyl)phenoxy]butanoic acid

Systemtic Name: 4-bromanyl-2,2-dimethyl-3-oxidanylidene-4-[2,4,5-tris(chloranyl)phenoxy]butanoic acid Openeye Name: 4-bromo-2,2-dimethyl-3-oxo-4-(2,4,5-trichlorophenoxy)butanoic acid CAS Name: 4-bromo-2,2-dimethyl-3-oxo-4-(2,4,5-trichlorophenoxy)butanoic acid IUPAC Name: 4-bromo-2,2-dimethyl-3-oxo-4-(2,4,5-trichlorophenoxy)butanoic acid Traditional Name: 4-bromo-3-keto-2,2-dimethyl-4-(2,4,5-trichlorophenoxy)butyric acid Formula: C12H10BrCl3O4 MolecularWeight: 404.4684

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C(=O)C(OC1=CC(=C(C=C1Cl)Cl)Cl)Br)C(=O)O

Isomeric SMILES

CC(C)(C(=O)C(OC1=CC(=C(C=C1Cl)Cl)Cl)Br)C(=O)O

InChI

InChI=1S/C12H10BrCl3O4/c1-12(2,11(18)19)9(17)10(13)20-8-4-6(15)5(14)3-7(8)16/h3-4,10H,1-2H3,(H,18,19)