trioctan-2-yl benzene-1,2,4-tricarboxylate

Systemtic Name: trioctan-2-yl benzene-1,2,4-tricarboxylate Openeye Name: tris(1-methylheptyl) benzene-1,2,4-tricarboxylate CAS Name: benzene-1,2,4-tricarboxylic acid trioctan-2-yl ester IUPAC Name: trioctan-2-yl benzene-1,2,4-tricarboxylate Traditional Name: benzene-1,2,4-tricarboxylic acid tris(1-methylheptyl) ester Formula: C33H54O6 MolecularWeight: 546.77826

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(C)OC(=O)C1=CC(=C(C=C1)C(=O)OC(C)CCCCCC)C(=O)OC(C)CCCCCC

Isomeric SMILES

CCCCCCC(C)OC(=O)C1=CC(=C(C=C1)C(=O)OC(C)CCCCCC)C(=O)OC(C)CCCCCC

InChI

InChI=1S/C33H54O6/c1-7-10-13-16-19-25(4)37-31(34)28-22-23-29(32(35)38-26(5)20-17-14-11-8-2)30(24-28)33(36)39-27(6)21-18-15-12-9-3/h22-27H,7-21H2,1-6H3