O1-butyl O2-(2,2-dimethylpropyl) 4-bromanylbenzene-1,2-dicarboxylate

Systemtic Name: O1-butyl O2-(2,2-dimethylpropyl) 4-bromanylbenzene-1,2-dicarboxylate Openeye Name: O1-butyl O2-(2,2-dimethylpropyl) 4-bromobenzene-1,2-dicarboxylate CAS Name: 4-bromobenzene-1,2-dicarboxylic acid O1-butyl ester O2-(2,2-dimethylpropyl) ester IUPAC Name: 1-O-butyl 2-O-(2,2-dimethylpropyl) 4-bromobenzene-1,2-dicarboxylate Traditional Name: 4-bromobenzene-1,2-dicarboxylic acid O1-butyl ester O2-neopentyl ester Formula: C17H23BrO4 MolecularWeight: 371.26612

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H23BrO4/c1-5-6-9-21-15(19)13-8-7-12(18)10-14(13)16(20)22-11-17(2,3)4/h7-8,10H,5-6,9,11H2,1-4H3