2-ethoxy-2-hexadecanoyl-3-oxidanyl-4-oxidanylidene-nonadecanoic acid; trimethylazanium; chloride

Systemtic Name: 2-ethoxy-2-hexadecanoyl-3-oxidanyl-4-oxidanylidene-nonadecanoic acid; trimethylazanium; chloride Openeye Name: 2-ethoxy-2-hexadecanoyl-3-hydroxy-4-oxo-nonadecanoic acid; trimethylammonium; chloride CAS Name: 2-ethoxy-3-hydroxy-4-oxo-2-(1-oxohexadecyl)nonadecanoic acid; trimethylammonium; chloride IUPAC Name: 2-ethoxy-2-hexadecanoyl-3-hydroxy-4-oxononadecanoic acid; trimethylazanium; chloride Traditional Name: 2-ethoxy-2-hexadecanoyl-3-hydroxy-4-keto-nonadecanoic acid; trimethylammonium; chloride Formula: C40H80ClNO6 MolecularWeight: 706.5193

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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