tris(10-methylundecyl) benzene-1,2,3-tricarboxylate

Systemtic Name: tris(10-methylundecyl) benzene-1,2,3-tricarboxylate Openeye Name: tris(10-methylundecyl) benzene-1,2,3-tricarboxylate CAS Name: benzene-1,2,3-tricarboxylic acid tris(10-methylundecyl) ester IUPAC Name: tris(10-methylundecyl) benzene-1,2,3-tricarboxylate Traditional Name: benzene-1,2,3-tricarboxylic acid tris(10-methylundecyl) ester Formula: C45H78O6 MolecularWeight: 715.09722

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCCCCCCCCOC(=O)C1=C(C(=CC=C1)C(=O)OCCCCCCCCCC(C)C)C(=O)OCCCCCCCCCC(C)C

Isomeric SMILES

CC(C)CCCCCCCCCOC(=O)C1=C(C(=CC=C1)C(=O)OCCCCCCCCCC(C)C)C(=O)OCCCCCCCCCC(C)C

InChI

InChI=1S/C45H78O6/c1-37(2)29-22-16-10-7-13-19-25-34-49-43(46)40-32-28-33-41(44(47)50-35-26-20-14-8-11-17-23-30-38(3)4)42(40)45(48)51-36-27-21-15-9-12-18-24-31-39(5)6/h28,32-33,37-39H,7-27,29-31,34-36H2,1-6H3