bis(2-methylpropyl) benzene-1,2-dicarboxylate; hexyl benzoate

Systemtic Name: bis(2-methylpropyl) benzene-1,2-dicarboxylate; hexyl benzoate Openeye Name: diisobutyl benzene-1,2-dicarboxylate; hexyl benzoate CAS Name: benzene-1,2-dicarboxylic acid bis(2-methylpropyl) ester; benzoic acid hexyl ester IUPAC Name: bis(2-methylpropyl) benzene-1,2-dicarboxylate; hexyl benzoate Traditional Name: benzene-1,2-dicarboxylic acid diisobutyl ester; benzoic acid hexyl ester Formula: C29H40O6 MolecularWeight: 484.6243

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC(=O)C1=CC=CC=C1.CC(C)COC(=O)C1=CC=CC=C1C(=O)OCC(C)C

Isomeric SMILES

CCCCCCOC(=O)C1=CC=CC=C1.CC(C)COC(=O)C1=CC=CC=C1C(=O)OCC(C)C

InChI

InChI=1S/C16H22O4.C13H18O2/c1-11(2)9-19-15(17)13-7-5-6-8-14(13)16(18)20-10-12(3)4;1-2-3-4-8-11-15-13(14)12-9-6-5-7-10-12/h5-8,11-12H,9-10H2,1-4H3;5-7,9-10H,2-4,8,11H2,1H3