bis(4-methylpentyl) 4-bromanyl-5-chloranyl-benzene-1,2-dicarboxylate

Systemtic Name: bis(4-methylpentyl) 4-bromanyl-5-chloranyl-benzene-1,2-dicarboxylate Openeye Name: diisohexyl 4-bromo-5-chloro-benzene-1,2-dicarboxylate CAS Name: 4-bromo-5-chlorobenzene-1,2-dicarboxylic acid bis(4-methylpentyl) ester IUPAC Name: bis(4-methylpentyl) 4-bromo-5-chlorobenzene-1,2-dicarboxylate Traditional Name: 4-bromo-5-chloro-benzene-1,2-dicarboxylic acid diisohexyl ester Formula: C20H28BrClO4 MolecularWeight: 447.79092

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCCOC(=O)C1=CC(=C(C=C1C(=O)OCCCC(C)C)Br)Cl

Isomeric SMILES

CC(C)CCCOC(=O)C1=CC(=C(C=C1C(=O)OCCCC(C)C)Br)Cl

InChI

InChI=1S/C20H28BrClO4/c1-13(2)7-5-9-25-19(23)15-11-17(21)18(22)12-16(15)20(24)26-10-6-8-14(3)4/h11-14H,5-10H2,1-4H3