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

Systemtic Name: bis(4-methylpentyl) 4-chloranyl-5-methyl-benzene-1,2-dicarboxylate Openeye Name: diisohexyl 4-chloro-5-methyl-benzene-1,2-dicarboxylate CAS Name: 4-chloro-5-methylbenzene-1,2-dicarboxylic acid bis(4-methylpentyl) ester IUPAC Name: bis(4-methylpentyl) 4-chloro-5-methylbenzene-1,2-dicarboxylate Traditional Name: 4-chloro-5-methyl-benzene-1,2-dicarboxylic acid diisohexyl ester Formula: C21H31ClO4 MolecularWeight: 382.92144

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C(=C1)C(=O)OCCCC(C)C)C(=O)OCCCC(C)C)Cl

Isomeric SMILES

CC1=C(C=C(C(=C1)C(=O)OCCCC(C)C)C(=O)OCCCC(C)C)Cl

InChI

InChI=1S/C21H31ClO4/c1-14(2)8-6-10-25-20(23)17-12-16(5)19(22)13-18(17)21(24)26-11-7-9-15(3)4/h12-15H,6-11H2,1-5H3