tris(10-methylundecyl) benzene-1,2,4-tricarboxylate

Systemtic Name: tris(10-methylundecyl) benzene-1,2,4-tricarboxylate Openeye Name: tris(10-methylundecyl) benzene-1,2,4-tricarboxylate CAS Name: benzene-1,2,4-tricarboxylic acid tris(10-methylundecyl) ester IUPAC Name: tris(10-methylundecyl) benzene-1,2,4-tricarboxylate Traditional Name: benzene-1,2,4-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=CC(=C(C=C1)C(=O)OCCCCCCCCCC(C)C)C(=O)OCCCCCCCCCC(C)C

Isomeric SMILES

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

InChI

InChI=1S/C45H78O6/c1-37(2)28-22-16-10-7-13-19-25-33-49-43(46)40-31-32-41(44(47)50-34-26-20-14-8-11-17-23-29-38(3)4)42(36-40)45(48)51-35-27-21-15-9-12-18-24-30-39(5)6/h31-32,36-39H,7-30,33-35H2,1-6H3