dihexadecan-6-yl benzene-1,2-dicarboxylate

Systemtic Name: dihexadecan-6-yl benzene-1,2-dicarboxylate Openeye Name: bis(1-pentylundecyl) benzene-1,2-dicarboxylate CAS Name: benzene-1,2-dicarboxylic acid dihexadecan-6-yl ester IUPAC Name: dihexadecan-6-yl benzene-1,2-dicarboxylate Traditional Name: benzene-1,2-dicarboxylic acid bis(1-amylundecyl) ester Formula: C40H70O4 MolecularWeight: 614.9814

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCC(CCCCC)OC(=O)C1=CC=CC=C1C(=O)OC(CCCCC)CCCCCCCCCC

Isomeric SMILES

CCCCCCCCCCC(CCCCC)OC(=O)C1=CC=CC=C1C(=O)OC(CCCCC)CCCCCCCCCC

InChI

InChI=1S/C40H70O4/c1-5-9-13-15-17-19-21-25-31-35(29-23-11-7-3)43-39(41)37-33-27-28-34-38(37)40(42)44-36(30-24-12-8-4)32-26-22-20-18-16-14-10-6-2/h27-28,33-36H,5-26,29-32H2,1-4H3