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

Systemtic Name: dihexan-3-yl 4-bromanyl-5-ethyl-benzene-1,2-dicarboxylate Openeye Name: bis(1-ethylbutyl) 4-bromo-5-ethyl-benzene-1,2-dicarboxylate CAS Name: 4-bromo-5-ethylbenzene-1,2-dicarboxylic acid dihexan-3-yl ester IUPAC Name: dihexan-3-yl 4-bromo-5-ethylbenzene-1,2-dicarboxylate Traditional Name: 4-bromo-5-ethyl-benzene-1,2-dicarboxylic acid bis(1-ethylbutyl) ester Formula: C22H33BrO4 MolecularWeight: 441.39902

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H33BrO4/c1-6-11-16(9-4)26-21(24)18-13-15(8-3)20(23)14-19(18)22(25)27-17(10-5)12-7-2/h13-14,16-17H,6-12H2,1-5H3