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

Systemtic Name: diundecan-6-yl benzene-1,2-dicarboxylate Openeye Name: bis(1-pentylhexyl) benzene-1,2-dicarboxylate CAS Name: benzene-1,2-dicarboxylic acid diundecan-6-yl ester IUPAC Name: diundecan-6-yl benzene-1,2-dicarboxylate Traditional Name: benzene-1,2-dicarboxylic acid bis(1-amylhexyl) ester Formula: C30H50O4 MolecularWeight: 474.7156

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(CCCCC)OC(=O)C1=CC=CC=C1C(=O)OC(CCCCC)CCCCC

Isomeric SMILES

CCCCCC(CCCCC)OC(=O)C1=CC=CC=C1C(=O)OC(CCCCC)CCCCC

InChI

InChI=1S/C30H50O4/c1-5-9-13-19-25(20-14-10-6-2)33-29(31)27-23-17-18-24-28(27)30(32)34-26(21-15-11-7-3)22-16-12-8-4/h17-18,23-26H,5-16,19-22H2,1-4H3