ethanol; 1-hydroxyethyl-methyl-(2-oxidanylpropyl)azanium; octadecanoate

Systemtic Name: ethanol; 1-hydroxyethyl-methyl-(2-oxidanylpropyl)azanium; octadecanoate Openeye Name: ethanol; 1-hydroxyethyl-(2-hydroxypropyl)-methyl-ammonium; octadecanoate CAS Name: ethanol; 1-hydroxyethyl-(2-hydroxypropyl)-methylammonium; octadecanoate IUPAC Name: ethanol; 1-hydroxyethyl-(2-hydroxypropyl)-methylazanium; octadecanoate Traditional Name: ethanol; 1-hydroxyethyl-(2-hydroxypropyl)-methyl-ammonium; stearate Formula: C44H92NO7- MolecularWeight: 747.20378

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC(=O)[O-].CCCCCCCCCCCCCCCCCC(=O)[O-].CCO.CC(C[NH+](C)C(C)O)O

Isomeric SMILES

CCCCCCCCCCCCCCCCCC(=O)[O-].CCCCCCCCCCCCCCCCCC(=O)[O-].CCO.CC(C[NH+](C)C(C)O)O

InChI

InChI=1S/2C18H36O2.C6H15NO2.C2H6O/c2*1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;1-5(8)4-7(3)6(2)9;1-2-3/h2*2-17H2,1H3,(H,19,20);5-6,8-9H,4H2,1-3H3;3H,2H2,1H3/p-1