ethyl 2-hexadecanoyl-2,3-bis(oxidanyl)-4-oxidanylidene-nonadecanoate; trimethylazanium; bromide

Systemtic Name: ethyl 2-hexadecanoyl-2,3-bis(oxidanyl)-4-oxidanylidene-nonadecanoate; trimethylazanium; bromide Openeye Name: ethyl 2-hexadecanoyl-2,3-dihydroxy-4-oxo-nonadecanoate; trimethylammonium; bromide CAS Name: 2,3-dihydroxy-4-oxo-2-(1-oxohexadecyl)nonadecanoic acid ethyl ester; trimethylammonium; bromide IUPAC Name: ethyl 2-hexadecanoyl-2,3-dihydroxy-4-oxononadecanoate; trimethylazanium; bromide Traditional Name: 2-hexadecanoyl-2,3-dihydroxy-4-keto-nonadecanoic acid ethyl ester; trimethylammonium; bromide Formula: C40H80BrNO6 MolecularWeight: 750.9703

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCC(=O)C(C(C(=O)CCCCCCCCCCCCCCC)(C(=O)OCC)O)O.C[NH+](C)C.[Br-]

Isomeric SMILES

CCCCCCCCCCCCCCCC(=O)C(C(C(=O)CCCCCCCCCCCCCCC)(C(=O)OCC)O)O.C[NH+](C)C.[Br-]

InChI

InChI=1S/C37H70O6.C3H9N.BrH/c1-4-7-9-11-13-15-17-19-21-23-25-27-29-31-33(38)35(40)37(42,36(41)43-6-3)34(39)32-30-28-26-24-22-20-18-16-14-12-10-8-5-2;1-4(2)3;/h35,40,42H,4-32H2,1-3H3;1-3H3;1H