(3,3-dimethyl-2-oxidanylidene-butyl) 4-[[2,6-bis(bromanyl)-4-methyl-phenoxy]methyl]benzoate

Systemtic Name: (3,3-dimethyl-2-oxidanylidene-butyl) 4-[[2,6-bis(bromanyl)-4-methyl-phenoxy]methyl]benzoate Openeye Name: (3,3-dimethyl-2-oxo-butyl) 4-[(2,6-dibromo-4-methyl-phenoxy)methyl]benzoate CAS Name: 4-[(2,6-dibromo-4-methylphenoxy)methyl]benzoic acid (3,3-dimethyl-2-oxobutyl) ester IUPAC Name: (3,3-dimethyl-2-oxobutyl) 4-[(2,6-dibromo-4-methylphenoxy)methyl]benzoate Traditional Name: 4-[(2,6-dibromo-4-methyl-phenoxy)methyl]benzoic acid (2-keto-3,3-dimethyl-butyl) ester Formula: C21H22Br2O4 MolecularWeight: 498.20498

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)Br)OCC2=CC=C(C=C2)C(=O)OCC(=O)C(C)(C)C)Br

Isomeric SMILES

CC1=CC(=C(C(=C1)Br)OCC2=CC=C(C=C2)C(=O)OCC(=O)C(C)(C)C)Br

InChI

InChI=1S/C21H22Br2O4/c1-13-9-16(22)19(17(23)10-13)26-11-14-5-7-15(8-6-14)20(25)27-12-18(24)21(2,3)4/h5-10H,11-12H2,1-4H3