(3,3-dimethyl-2-oxidanylidene-butyl) 3,5-bis(bromanyl)-2-oxidanyl-benzoate

Systemtic Name: (3,3-dimethyl-2-oxidanylidene-butyl) 3,5-bis(bromanyl)-2-oxidanyl-benzoate Openeye Name: (3,3-dimethyl-2-oxo-butyl) 3,5-dibromo-2-hydroxy-benzoate CAS Name: 3,5-dibromo-2-hydroxybenzoic acid (3,3-dimethyl-2-oxobutyl) ester IUPAC Name: (3,3-dimethyl-2-oxobutyl) 3,5-dibromo-2-hydroxybenzoate Traditional Name: 3,5-dibromo-2-hydroxy-benzoic acid (2-keto-3,3-dimethyl-butyl) ester Formula: C13H14Br2O4 MolecularWeight: 394.05586

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)COC(=O)C1=CC(=CC(=C1O)Br)Br

Isomeric SMILES

CC(C)(C)C(=O)COC(=O)C1=CC(=CC(=C1O)Br)Br

InChI

InChI=1S/C13H14Br2O4/c1-13(2,3)10(16)6-19-12(18)8-4-7(14)5-9(15)11(8)17/h4-5,17H,6H2,1-3H3