azanium 2-octadecanoyloxypropanoate

Systemtic Name: azanium 2-octadecanoyloxypropanoate Openeye Name: ammonium 2-octadecanoyloxypropanoate CAS Name: ammonium 2-(1-oxooctadecoxy)propanoate IUPAC Name: azanium 2-octadecanoyloxypropanoate Traditional Name: ammonium 2-stearoyloxypropionate Formula: C21H43NO4 MolecularWeight: 373.57042

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC(=O)OC(C)C(=O)[O-].[NH4+]

Isomeric SMILES

CCCCCCCCCCCCCCCCCC(=O)OC(C)C(=O)[O-].[NH4+]

InChI

InChI=1S/C21H40O4.H3N/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-20(22)25-19(2)21(23)24;/h19H,3-18H2,1-2H3,(H,23,24);1H3