tris(2-tridecylphenyl) benzene-1,2,4-tricarboxylate

Systemtic Name: tris(2-tridecylphenyl) benzene-1,2,4-tricarboxylate Openeye Name: tris(2-tridecylphenyl) benzene-1,2,4-tricarboxylate CAS Name: benzene-1,2,4-tricarboxylic acid tris(2-tridecylphenyl) ester IUPAC Name: tris(2-tridecylphenyl) benzene-1,2,4-tricarboxylate Traditional Name: benzene-1,2,4-tricarboxylic acid tris(2-tridecylphenyl) ester Formula: C66H96O6 MolecularWeight: 985.46484

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCC1=CC=CC=C1OC(=O)C2=CC(=C(C=C2)C(=O)OC3=CC=CC=C3CCCCCCCCCCCCC)C(=O)OC4=CC=CC=C4CCCCCCCCCCCCC

Isomeric SMILES

CCCCCCCCCCCCCC1=CC=CC=C1OC(=O)C2=CC(=C(C=C2)C(=O)OC3=CC=CC=C3CCCCCCCCCCCCC)C(=O)OC4=CC=CC=C4CCCCCCCCCCCCC

InChI

InChI=1S/C66H96O6/c1-4-7-10-13-16-19-22-25-28-31-34-43-55-46-37-40-49-61(55)70-64(67)58-52-53-59(65(68)71-62-50-41-38-47-56(62)44-35-32-29-26-23-20-17-14-11-8-5-2)60(54-58)66(69)72-63-51-42-39-48-57(63)45-36-33-30-27-24-21-18-15-12-9-6-3/h37-42,46-54H,4-36,43-45H2,1-3H3