tris(2,3,4-trioctylphenyl) benzene-1,2,4-tricarboxylate

Systemtic Name: tris(2,3,4-trioctylphenyl) benzene-1,2,4-tricarboxylate Openeye Name: tris(2,3,4-trioctylphenyl) benzene-1,2,4-tricarboxylate CAS Name: benzene-1,2,4-tricarboxylic acid tris(2,3,4-trioctylphenyl) ester IUPAC Name: tris(2,3,4-trioctylphenyl) benzene-1,2,4-tricarboxylate Traditional Name: benzene-1,2,4-tricarboxylic acid tris(2,3,4-trioctylphenyl) ester Formula: C99H162O6 MolecularWeight: 1448.34198

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1=C(C(=C(C=C1)OC(=O)C2=CC(=C(C=C2)C(=O)OC3=C(C(=C(C=C3)CCCCCCCC)CCCCCCCC)CCCCCCCC)C(=O)OC4=C(C(=C(C=C4)CCCCCCCC)CCCCCCCC)CCCCCCCC)CCCCCCCC)CCCCCCCC

Isomeric SMILES

CCCCCCCCC1=C(C(=C(C=C1)OC(=O)C2=CC(=C(C=C2)C(=O)OC3=C(C(=C(C=C3)CCCCCCCC)CCCCCCCC)CCCCCCCC)C(=O)OC4=C(C(=C(C=C4)CCCCCCCC)CCCCCCCC)CCCCCCCC)CCCCCCCC)CCCCCCCC

InChI

InChI=1S/C99H162O6/c1-10-19-28-37-46-55-64-82-74-78-94(89(70-61-52-43-34-25-16-7)86(82)67-58-49-40-31-22-13-4)103-97(100)85-73-77-92(98(101)104-95-79-75-83(65-56-47-38-29-20-11-2)87(68-59-50-41-32-23-14-5)90(95)71-62-53-44-35-26-17-8)93(81-85)99(102)105-96-80-76-84(66-57-48-39-30-21-12-3)88(69-60-51-42-33-24-15-6)91(96)72-63-54-45-36-27-18-9/h73-81H,10-72H2,1-9H3