O2-butyl O1-(2,2-dimethylpropyl) 4-bromanyl-5-chloranyl-benzene-1,2-dicarboxylate

Systemtic Name: O2-butyl O1-(2,2-dimethylpropyl) 4-bromanyl-5-chloranyl-benzene-1,2-dicarboxylate Openeye Name: O2-butyl O1-(2,2-dimethylpropyl) 4-bromo-5-chloro-benzene-1,2-dicarboxylate CAS Name: 4-bromo-5-chlorobenzene-1,2-dicarboxylic acid O2-butyl ester O1-(2,2-dimethylpropyl) ester IUPAC Name: 2-O-butyl 1-O-(2,2-dimethylpropyl) 4-bromo-5-chlorobenzene-1,2-dicarboxylate Traditional Name: 4-bromo-5-chloro-benzene-1,2-dicarboxylic acid O2-butyl ester O1-neopentyl ester Formula: C17H22BrClO4 MolecularWeight: 405.71118

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)C1=CC(=C(C=C1C(=O)OCC(C)(C)C)Cl)Br

Isomeric SMILES

CCCCOC(=O)C1=CC(=C(C=C1C(=O)OCC(C)(C)C)Cl)Br

InChI

InChI=1S/C17H22BrClO4/c1-5-6-7-22-15(20)11-8-13(18)14(19)9-12(11)16(21)23-10-17(2,3)4/h8-9H,5-7,10H2,1-4H3