2,3-di(octadecanoyloxy)propyl octadecanoate; 2-hydroxyethyl(trimethyl)azanium; chloride

Systemtic Name: 2,3-di(octadecanoyloxy)propyl octadecanoate; 2-hydroxyethyl(trimethyl)azanium; chloride Openeye Name: 2,3-di(octadecanoyloxy)propyl octadecanoate; 2-hydroxyethyl(trimethyl)ammonium; chloride CAS Name: 2-hydroxyethyl(trimethyl)ammonium; octadecanoic acid 2,3-bis(1-oxooctadecoxy)propyl ester; chloride IUPAC Name: 2,3-di(octadecanoyloxy)propyl octadecanoate; 2-hydroxyethyl(trimethyl)azanium; chloride Traditional Name: 2-hydroxyethyl(trimethyl)ammonium; stearic acid 2,3-distearoyloxypropyl ester; chloride Formula: C62H124ClNO7 MolecularWeight: 1031.10346

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCC.C[N+](C)(C)CCO.[Cl-]

Isomeric SMILES

CCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCC.C[N+](C)(C)CCO.[Cl-]

InChI

InChI=1S/C57H110O6.C5H14NO.ClH/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-55(58)61-52-54(63-57(60)51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2;1-6(2,3)4-5-7;/h54H,4-53H2,1-3H3;7H,4-5H2,1-3H3;1H/q;+1;/p-1