ethyl 2-octadecanoyl-2,3-bis(oxidanyl)-4-oxidanylidene-henicosanoate; trimethylazanium; chloride

Systemtic Name: ethyl 2-octadecanoyl-2,3-bis(oxidanyl)-4-oxidanylidene-henicosanoate; trimethylazanium; chloride Openeye Name: ethyl 2,3-dihydroxy-2-octadecanoyl-4-oxo-henicosanoate; trimethylammonium; chloride CAS Name: 2,3-dihydroxy-4-oxo-2-(1-oxooctadecyl)heneicosanoic acid ethyl ester; trimethylammonium; chloride IUPAC Name: ethyl 2,3-dihydroxy-2-octadecanoyl-4-oxohenicosanoate; trimethylazanium; chloride Traditional Name: 2,3-dihydroxy-4-keto-2-stearoyl-heneicosanoic acid ethyl ester; trimethylammonium; chloride Formula: C44H88ClNO6 MolecularWeight: 762.62562

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC(=O)C(C(C(=O)CCCCCCCCCCCCCCCCC)(C(=O)OCC)O)O.C[NH+](C)C.[Cl-]

Isomeric SMILES

CCCCCCCCCCCCCCCCCC(=O)C(C(C(=O)CCCCCCCCCCCCCCCCC)(C(=O)OCC)O)O.C[NH+](C)C.[Cl-]

InChI

InChI=1S/C41H78O6.C3H9N.ClH/c1-4-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37(42)39(44)41(46,40(45)47-6-3)38(43)36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-5-2;1-4(2)3;/h39,44,46H,4-36H2,1-3H3;1-3H3;1H