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

Systemtic Name: bis(4-methylpentyl) 3-methylbenzene-1,2-dicarboxylate Openeye Name: diisohexyl 3-methylbenzene-1,2-dicarboxylate CAS Name: 3-methylbenzene-1,2-dicarboxylic acid bis(4-methylpentyl) ester IUPAC Name: bis(4-methylpentyl) 3-methylbenzene-1,2-dicarboxylate Traditional Name: 3-methylbenzene-1,2-dicarboxylic acid diisohexyl ester Formula: C21H32O4 MolecularWeight: 348.47638

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1C(=O)OCCCC(C)C)C(=O)OCCCC(C)C

Isomeric SMILES

CC1=CC=CC(=C1C(=O)OCCCC(C)C)C(=O)OCCCC(C)C

InChI

InChI=1S/C21H32O4/c1-15(2)9-7-13-24-20(22)18-12-6-11-17(5)19(18)21(23)25-14-8-10-16(3)4/h6,11-12,15-16H,7-10,13-14H2,1-5H3