tris(16-methylheptadecyl) benzene-1,3,5-tricarboxylate

Systemtic Name: tris(16-methylheptadecyl) benzene-1,3,5-tricarboxylate Openeye Name: tris(16-methylheptadecyl) benzene-1,3,5-tricarboxylate CAS Name: benzene-1,3,5-tricarboxylic acid tris(16-methylheptadecyl) ester IUPAC Name: tris(16-methylheptadecyl) benzene-1,3,5-tricarboxylate Traditional Name: benzene-1,3,5-tricarboxylic acid tris(16-methylheptadecyl) ester Formula: C63H114O6 MolecularWeight: 967.57566

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCCCCCCCCCCCCCCOC(=O)C1=CC(=CC(=C1)C(=O)OCCCCCCCCCCCCCCCC(C)C)C(=O)OCCCCCCCCCCCCCCCC(C)C

Isomeric SMILES

CC(C)CCCCCCCCCCCCCCCOC(=O)C1=CC(=CC(=C1)C(=O)OCCCCCCCCCCCCCCCC(C)C)C(=O)OCCCCCCCCCCCCCCCC(C)C

InChI

InChI=1S/C63H114O6/c1-55(2)46-40-34-28-22-16-10-7-13-19-25-31-37-43-49-67-61(64)58-52-59(62(65)68-50-44-38-32-26-20-14-8-11-17-23-29-35-41-47-56(3)4)54-60(53-58)63(66)69-51-45-39-33-27-21-15-9-12-18-24-30-36-42-48-57(5)6/h52-57H,7-51H2,1-6H3