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

Systemtic Name: O2-butyl O1-(2,2-dimethylpropyl) 4-bromanyl-5-ethyl-benzene-1,2-dicarboxylate Openeye Name: O2-butyl O1-(2,2-dimethylpropyl) 4-bromo-5-ethyl-benzene-1,2-dicarboxylate CAS Name: 4-bromo-5-ethylbenzene-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-ethylbenzene-1,2-dicarboxylate Traditional Name: 4-bromo-5-ethyl-benzene-1,2-dicarboxylic acid O2-butyl ester O1-neopentyl ester Formula: C19H27BrO4 MolecularWeight: 399.31928

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H27BrO4/c1-6-8-9-23-17(21)15-11-16(20)13(7-2)10-14(15)18(22)24-12-19(3,4)5/h10-11H,6-9,12H2,1-5H3