3,5,6-tri(hexadecan-8-yl)benzene-1,2,4-tricarboxylate

Systemtic Name: 3,5,6-tri(hexadecan-8-yl)benzene-1,2,4-tricarboxylate Openeye Name: 3,5,6-tris(1-heptylnonyl)benzene-1,2,4-tricarboxylate CAS Name: 3,5,6-tri(hexadecan-8-yl)benzene-1,2,4-tricarboxylate IUPAC Name: 3,5,6-tri(hexadecan-8-yl)benzene-1,2,4-tricarboxylate Traditional Name: 3,5,6-tris(1-heptylnonyl)benzene-1,2,4-tricarboxylate Formula: C57H99O6-3 MolecularWeight: 880.39236

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC(CCCCCCC)C1=C(C(=C(C(=C1C(=O)[O-])C(CCCCCCC)CCCCCCCC)C(=O)[O-])C(=O)[O-])C(CCCCCCC)CCCCCCCC

Isomeric SMILES

CCCCCCCCC(CCCCCCC)C1=C(C(=C(C(=C1C(=O)[O-])C(CCCCCCC)CCCCCCCC)C(=O)[O-])C(=O)[O-])C(CCCCCCC)CCCCCCCC

InChI

InChI=1S/C57H102O6/c1-7-13-19-25-31-37-42-46(40-34-28-22-16-10-4)49-50(47(41-35-29-23-17-11-5)43-38-32-26-20-14-8-2)53(56(60)61)54(57(62)63)51(52(49)55(58)59)48(44-36-30-24-18-12-6)45-39-33-27-21-15-9-3/h46-48H,7-45H2,1-6H3,(H,58,59)(H,60,61)(H,62,63)/p-3