tris(16-methylheptadecyl) benzene-1,2,3-tricarboxylate

Systemtic Name: tris(16-methylheptadecyl) benzene-1,2,3-tricarboxylate Openeye Name: tris(16-methylheptadecyl) benzene-1,2,3-tricarboxylate CAS Name: benzene-1,2,3-tricarboxylic acid tris(16-methylheptadecyl) ester IUPAC Name: tris(16-methylheptadecyl) benzene-1,2,3-tricarboxylate Traditional Name: benzene-1,2,3-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=C(C(=CC=C1)C(=O)OCCCCCCCCCCCCCCCC(C)C)C(=O)OCCCCCCCCCCCCCCCC(C)C

Isomeric SMILES

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

InChI

InChI=1S/C63H114O6/c1-55(2)47-40-34-28-22-16-10-7-13-19-25-31-37-43-52-67-61(64)58-50-46-51-59(62(65)68-53-44-38-32-26-20-14-8-11-17-23-29-35-41-48-56(3)4)60(58)63(66)69-54-45-39-33-27-21-15-9-12-18-24-30-36-42-49-57(5)6/h46,50-51,55-57H,7-45,47-49,52-54H2,1-6H3