tris(3,4-diethyloctan-3-yl) benzene-1,2,4-tricarboxylate

Systemtic Name: tris(3,4-diethyloctan-3-yl) benzene-1,2,4-tricarboxylate Openeye Name: tris(1,1,2-triethylhexyl) benzene-1,2,4-tricarboxylate CAS Name: benzene-1,2,4-tricarboxylic acid tris(3,4-diethyloctan-3-yl) ester IUPAC Name: tris(3,4-diethyloctan-3-yl) benzene-1,2,4-tricarboxylate Traditional Name: benzene-1,2,4-tricarboxylic acid tris(1,1,2-triethylhexyl) ester Formula: C45H78O6 MolecularWeight: 715.09722

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CC)C(CC)(CC)OC(=O)C1=CC(=C(C=C1)C(=O)OC(CC)(CC)C(CC)CCCC)C(=O)OC(CC)(CC)C(CC)CCCC

Isomeric SMILES

CCCCC(CC)C(CC)(CC)OC(=O)C1=CC(=C(C=C1)C(=O)OC(CC)(CC)C(CC)CCCC)C(=O)OC(CC)(CC)C(CC)CCCC

InChI

InChI=1S/C45H78O6/c1-13-25-28-35(16-4)43(19-7,20-8)49-40(46)34-31-32-38(41(47)50-44(21-9,22-10)36(17-5)29-26-14-2)39(33-34)42(48)51-45(23-11,24-12)37(18-6)30-27-15-3/h31-33,35-37H,13-30H2,1-12H3