tris(2,2,4-trimethylpentyl) cyclohexane-1,2,4-tricarboxylate

Systemtic Name: tris(2,2,4-trimethylpentyl) cyclohexane-1,2,4-tricarboxylate Openeye Name: tris(2,2,4-trimethylpentyl) cyclohexane-1,2,4-tricarboxylate CAS Name: cyclohexane-1,2,4-tricarboxylic acid tris(2,2,4-trimethylpentyl) ester IUPAC Name: tris(2,2,4-trimethylpentyl) cyclohexane-1,2,4-tricarboxylate Traditional Name: cyclohexane-1,2,4-tricarboxylic acid tris(2,2,4-trimethylpentyl) ester Formula: C33H60O6 MolecularWeight: 552.8259

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C)(C)COC(=O)C1CCC(C(C1)C(=O)OCC(C)(C)CC(C)C)C(=O)OCC(C)(C)CC(C)C

Isomeric SMILES

CC(C)CC(C)(C)COC(=O)C1CCC(C(C1)C(=O)OCC(C)(C)CC(C)C)C(=O)OCC(C)(C)CC(C)C

InChI

InChI=1S/C33H60O6/c1-22(2)16-31(7,8)19-37-28(34)25-13-14-26(29(35)38-20-32(9,10)17-23(3)4)27(15-25)30(36)39-21-33(11,12)18-24(5)6/h22-27H,13-21H2,1-12H3