tris(3,4-diethyloctan-3-yl) 2-oxidanylpropane-1,2,3-tricarboxylate

Systemtic Name: tris(3,4-diethyloctan-3-yl) 2-oxidanylpropane-1,2,3-tricarboxylate Openeye Name: tris(1,1,2-triethylhexyl) 2-hydroxypropane-1,2,3-tricarboxylate CAS Name: 2-hydroxypropane-1,2,3-tricarboxylic acid tris(3,4-diethyloctan-3-yl) ester IUPAC Name: tris(3,4-diethyloctan-3-yl) 2-hydroxypropane-1,2,3-tricarboxylate Traditional Name: 2-hydroxypropane-1,2,3-tricarboxylic acid tris(1,1,2-triethylhexyl) ester Formula: C42H80O7 MolecularWeight: 697.0804

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CC)C(CC)(CC)OC(=O)CC(CC(=O)OC(CC)(CC)C(CC)CCCC)(C(=O)OC(CC)(CC)C(CC)CCCC)O

Isomeric SMILES

CCCCC(CC)C(CC)(CC)OC(=O)CC(CC(=O)OC(CC)(CC)C(CC)CCCC)(C(=O)OC(CC)(CC)C(CC)CCCC)O

InChI

InChI=1S/C42H80O7/c1-13-25-28-33(16-4)40(19-7,20-8)47-36(43)31-39(46,38(45)49-42(23-11,24-12)35(18-6)30-27-15-3)32-37(44)48-41(21-9,22-10)34(17-5)29-26-14-2/h33-35,46H,13-32H2,1-12H3