tris(9,10-dioctyloctadecan-9-yl) benzene-1,2,4-tricarboxylate

Systemtic Name: tris(9,10-dioctyloctadecan-9-yl) benzene-1,2,4-tricarboxylate Openeye Name: tris(1,1,2-trioctyldecyl) benzene-1,2,4-tricarboxylate CAS Name: benzene-1,2,4-tricarboxylic acid tris(9,10-dioctyloctadecan-9-yl) ester IUPAC Name: tris(9,10-dioctyloctadecan-9-yl) benzene-1,2,4-tricarboxylate Traditional Name: benzene-1,2,4-tricarboxylic acid tris(1,1,2-trioctyldecyl) ester Formula: C111H210O6 MolecularWeight: 1640.8515

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C111H210O6/c1-13-25-37-49-61-73-85-101(86-74-62-50-38-26-14-2)109(93-79-67-55-43-31-19-7,94-80-68-56-44-32-20-8)115-106(112)100-91-92-104(107(113)116-110(95-81-69-57-45-33-21-9,96-82-70-58-46-34-22-10)102(87-75-63-51-39-27-15-3)88-76-64-52-40-28-16-4)105(99-100)108(114)117-111(97-83-71-59-47-35-23-11,98-84-72-60-48-36-24-12)103(89-77-65-53-41-29-17-5)90-78-66-54-42-30-18-6/h91-92,99,101-103H,13-90,93-98H2,1-12H3