tris(9-octyloctadecan-9-yl) benzene-1,2,4-tricarboxylate

Systemtic Name: tris(9-octyloctadecan-9-yl) benzene-1,2,4-tricarboxylate Openeye Name: tris(1,1-dioctyldecyl) benzene-1,2,4-tricarboxylate CAS Name: benzene-1,2,4-tricarboxylic acid tris(9-octyloctadecan-9-yl) ester IUPAC Name: tris(9-octyloctadecan-9-yl) benzene-1,2,4-tricarboxylate Traditional Name: benzene-1,2,4-tricarboxylic acid tris(1,1-dioctyldecyl) ester Formula: C87H162O6 MolecularWeight: 1304.21358

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCC(CCCCCCCC)(CCCCCCCC)OC(=O)C1=CC(=C(C=C1)C(=O)OC(CCCCCCCC)(CCCCCCCC)CCCCCCCCC)C(=O)OC(CCCCCCCC)(CCCCCCCC)CCCCCCCCC

Isomeric SMILES

CCCCCCCCCC(CCCCCCCC)(CCCCCCCC)OC(=O)C1=CC(=C(C=C1)C(=O)OC(CCCCCCCC)(CCCCCCCC)CCCCCCCCC)C(=O)OC(CCCCCCCC)(CCCCCCCC)CCCCCCCCC

InChI

InChI=1S/C87H162O6/c1-10-19-28-37-46-55-64-71-85(69-58-49-40-31-22-13-4,70-59-50-41-32-23-14-5)91-82(88)79-67-68-80(83(89)92-86(72-60-51-42-33-24-15-6,73-61-52-43-34-25-16-7)74-65-56-47-38-29-20-11-2)81(78-79)84(90)93-87(75-62-53-44-35-26-17-8,76-63-54-45-36-27-18-9)77-66-57-48-39-30-21-12-3/h67-68,78H,10-66,69-77H2,1-9H3