O1-(2,2-dimethylpropyl) O2-ethyl 4-bromanyl-5-methyl-benzene-1,2-dicarboxylate

Systemtic Name: O1-(2,2-dimethylpropyl) O2-ethyl 4-bromanyl-5-methyl-benzene-1,2-dicarboxylate Openeye Name: O1-(2,2-dimethylpropyl) O2-ethyl 4-bromo-5-methyl-benzene-1,2-dicarboxylate CAS Name: 4-bromo-5-methylbenzene-1,2-dicarboxylic acid O1-(2,2-dimethylpropyl) ester O2-ethyl ester IUPAC Name: 1-O-(2,2-dimethylpropyl) 2-O-ethyl 4-bromo-5-methylbenzene-1,2-dicarboxylate Traditional Name: 4-bromo-5-methyl-benzene-1,2-dicarboxylic acid O2-ethyl ester O1-neopentyl ester Formula: C16H21BrO4 MolecularWeight: 357.23954

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=C(C=C1C(=O)OCC(C)(C)C)C)Br

Isomeric SMILES

CCOC(=O)C1=CC(=C(C=C1C(=O)OCC(C)(C)C)C)Br

InChI

InChI=1S/C16H21BrO4/c1-6-20-14(18)12-8-13(17)10(2)7-11(12)15(19)21-9-16(3,4)5/h7-8H,6,9H2,1-5H3