bis(6-methylheptyl) 4-chloranyl-5-ethyl-benzene-1,2-dicarboxylate

Systemtic Name: bis(6-methylheptyl) 4-chloranyl-5-ethyl-benzene-1,2-dicarboxylate Openeye Name: bis(6-methylheptyl) 4-chloro-5-ethyl-benzene-1,2-dicarboxylate CAS Name: 4-chloro-5-ethylbenzene-1,2-dicarboxylic acid bis(6-methylheptyl) ester IUPAC Name: bis(6-methylheptyl) 4-chloro-5-ethylbenzene-1,2-dicarboxylate Traditional Name: 4-chloro-5-ethyl-benzene-1,2-dicarboxylic acid bis(6-methylheptyl) ester Formula: C26H41ClO4 MolecularWeight: 453.05434

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H41ClO4/c1-6-21-17-22(25(28)30-15-11-7-9-13-19(2)3)23(18-24(21)27)26(29)31-16-12-8-10-14-20(4)5/h17-20H,6-16H2,1-5H3