tris(7-methyloctyl) benzene-1,2,4-tricarboxylate

Systemtic Name: tris(7-methyloctyl) benzene-1,2,4-tricarboxylate Openeye Name: tris(7-methyloctyl) benzene-1,2,4-tricarboxylate CAS Name: benzene-1,2,4-tricarboxylic acid tris(7-methyloctyl) ester IUPAC Name: tris(7-methyloctyl) benzene-1,2,4-tricarboxylate Traditional Name: benzene-1,2,4-tricarboxylic acid tris(7-methyloctyl) ester Formula: C36H60O6 MolecularWeight: 588.858

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCCCCCOC(=O)C1=CC(=C(C=C1)C(=O)OCCCCCCC(C)C)C(=O)OCCCCCCC(C)C

Isomeric SMILES

CC(C)CCCCCCOC(=O)C1=CC(=C(C=C1)C(=O)OCCCCCCC(C)C)C(=O)OCCCCCCC(C)C

InChI

InChI=1S/C36H60O6/c1-28(2)19-13-7-10-16-24-40-34(37)31-22-23-32(35(38)41-25-17-11-8-14-20-29(3)4)33(27-31)36(39)42-26-18-12-9-15-21-30(5)6/h22-23,27-30H,7-21,24-26H2,1-6H3