2-[dodecanoyl(9-octylicosan-9-yl)amino]pentanedioate

Systemtic Name: 2-[dodecanoyl(9-octylicosan-9-yl)amino]pentanedioate Openeye Name: 2-[1,1-dioctyldodecyl(dodecanoyl)amino]pentanedioate CAS Name: 2-[9-octyleicosan-9-yl(1-oxododecyl)amino]pentanedioate IUPAC Name: 2-[dodecanoyl(9-octylicosan-9-yl)amino]pentanedioate Traditional Name: 2-[1,1-dioctyldodecyl(lauroyl)amino]glutarate Formula: C45H85NO5-2 MolecularWeight: 720.1601

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCC(=O)N(C(CCC(=O)[O-])C(=O)[O-])C(CCCCCCCC)(CCCCCCCC)CCCCCCCCCCC

Isomeric SMILES

CCCCCCCCCCCC(=O)N(C(CCC(=O)[O-])C(=O)[O-])C(CCCCCCCC)(CCCCCCCC)CCCCCCCCCCC

InChI

InChI=1S/C45H87NO5/c1-5-9-13-17-21-23-25-27-31-35-42(47)46(41(44(50)51)36-37-43(48)49)45(38-32-28-19-15-11-7-3,39-33-29-20-16-12-8-4)40-34-30-26-24-22-18-14-10-6-2/h41H,5-40H2,1-4H3,(H,48,49)(H,50,51)/p-2