bis(4-methylpentyl) 3-bromanylbenzene-1,2-dicarboxylate

Systemtic Name: bis(4-methylpentyl) 3-bromanylbenzene-1,2-dicarboxylate Openeye Name: diisohexyl 3-bromobenzene-1,2-dicarboxylate CAS Name: 3-bromobenzene-1,2-dicarboxylic acid bis(4-methylpentyl) ester IUPAC Name: bis(4-methylpentyl) 3-bromobenzene-1,2-dicarboxylate Traditional Name: 3-bromobenzene-1,2-dicarboxylic acid diisohexyl ester Formula: C20H29BrO4 MolecularWeight: 413.34586

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCCOC(=O)C1=C(C(=CC=C1)Br)C(=O)OCCCC(C)C

Isomeric SMILES

CC(C)CCCOC(=O)C1=C(C(=CC=C1)Br)C(=O)OCCCC(C)C

InChI

InChI=1S/C20H29BrO4/c1-14(2)8-6-12-24-19(22)16-10-5-11-17(21)18(16)20(23)25-13-7-9-15(3)4/h5,10-11,14-15H,6-9,12-13H2,1-4H3