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

Systemtic Name: O1-butyl O2-(2,2-dimethylpropyl) 4-bromanyl-5-methyl-benzene-1,2-dicarboxylate Openeye Name: O1-butyl O2-(2,2-dimethylpropyl) 4-bromo-5-methyl-benzene-1,2-dicarboxylate CAS Name: 4-bromo-5-methylbenzene-1,2-dicarboxylic acid O1-butyl ester O2-(2,2-dimethylpropyl) ester IUPAC Name: 1-O-butyl 2-O-(2,2-dimethylpropyl) 4-bromo-5-methylbenzene-1,2-dicarboxylate Traditional Name: 4-bromo-5-methyl-benzene-1,2-dicarboxylic acid O1-butyl ester O2-neopentyl ester Formula: C18H25BrO4 MolecularWeight: 385.2927

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H25BrO4/c1-6-7-8-22-16(20)13-9-12(2)15(19)10-14(13)17(21)23-11-18(3,4)5/h9-10H,6-8,11H2,1-5H3