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

Systemtic Name: bis(4-methylpentyl) 4-chloranyl-5-ethyl-benzene-1,2-dicarboxylate Openeye Name: diisohexyl 4-chloro-5-ethyl-benzene-1,2-dicarboxylate CAS Name: 4-chloro-5-ethylbenzene-1,2-dicarboxylic acid bis(4-methylpentyl) ester IUPAC Name: bis(4-methylpentyl) 4-chloro-5-ethylbenzene-1,2-dicarboxylate Traditional Name: 4-chloro-5-ethyl-benzene-1,2-dicarboxylic acid diisohexyl ester Formula: C22H33ClO4 MolecularWeight: 396.94802

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=C(C(=C1)C(=O)OCCCC(C)C)C(=O)OCCCC(C)C)Cl

Isomeric SMILES

CCC1=C(C=C(C(=C1)C(=O)OCCCC(C)C)C(=O)OCCCC(C)C)Cl

InChI

InChI=1S/C22H33ClO4/c1-6-17-13-18(21(24)26-11-7-9-15(2)3)19(14-20(17)23)22(25)27-12-8-10-16(4)5/h13-16H,6-12H2,1-5H3