bis(9-octylicosan-9-yl) 2-(dodecanoylamino)pentanedioate

Systemtic Name: bis(9-octylicosan-9-yl) 2-(dodecanoylamino)pentanedioate Openeye Name: bis(1,1-dioctyldodecyl) 2-(dodecanoylamino)pentanedioate CAS Name: 2-(1-oxododecylamino)pentanedioic acid bis(9-octyleicosan-9-yl) ester IUPAC Name: bis(9-octylicosan-9-yl) 2-(dodecanoylamino)pentanedioate Traditional Name: 2-(lauroylamino)glutaric acid bis(1,1-dioctyldodecyl) ester Formula: C73H143NO5 MolecularWeight: 1114.92022

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCC(=O)NC(CCC(=O)OC(CCCCCCCC)(CCCCCCCC)CCCCCCCCCCC)C(=O)OC(CCCCCCCC)(CCCCCCCC)CCCCCCCCCCC

Isomeric SMILES

CCCCCCCCCCCC(=O)NC(CCC(=O)OC(CCCCCCCC)(CCCCCCCC)CCCCCCCCCCC)C(=O)OC(CCCCCCCC)(CCCCCCCC)CCCCCCCCCCC

InChI

InChI=1S/C73H143NO5/c1-8-15-22-29-36-39-42-45-52-59-69(75)74-68(71(77)79-73(65-56-48-34-27-20-13-6,66-57-49-35-28-21-14-7)67-58-51-44-41-38-31-24-17-10-3)60-61-70(76)78-72(62-53-46-32-25-18-11-4,63-54-47-33-26-19-12-5)64-55-50-43-40-37-30-23-16-9-2/h68H,8-67H2,1-7H3,(H,74,75)