dihexan-3-yl 4-bromanyl-5-methyl-benzene-1,2-dicarboxylate

Systemtic Name: dihexan-3-yl 4-bromanyl-5-methyl-benzene-1,2-dicarboxylate Openeye Name: bis(1-ethylbutyl) 4-bromo-5-methyl-benzene-1,2-dicarboxylate CAS Name: 4-bromo-5-methylbenzene-1,2-dicarboxylic acid dihexan-3-yl ester IUPAC Name: dihexan-3-yl 4-bromo-5-methylbenzene-1,2-dicarboxylate Traditional Name: 4-bromo-5-methyl-benzene-1,2-dicarboxylic acid bis(1-ethylbutyl) ester Formula: C21H31BrO4 MolecularWeight: 427.37244

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(CC)OC(=O)C1=CC(=C(C=C1C(=O)OC(CC)CCC)Br)C

Isomeric SMILES

CCCC(CC)OC(=O)C1=CC(=C(C=C1C(=O)OC(CC)CCC)Br)C

InChI

InChI=1S/C21H31BrO4/c1-6-10-15(8-3)25-20(23)17-12-14(5)19(22)13-18(17)21(24)26-16(9-4)11-7-2/h12-13,15-16H,6-11H2,1-5H3