2-hydroxyethylazanium; (2-octadecanoyloxycyclopropyl) octadecanoate; ethanoate

Systemtic Name: 2-hydroxyethylazanium; (2-octadecanoyloxycyclopropyl) octadecanoate; ethanoate Openeye Name: 2-hydroxyethylammonium; (2-octadecanoyloxycyclopropyl) octadecanoate; acetate CAS Name: 2-hydroxyethylammonium; octadecanoic acid [2-(1-oxooctadecoxy)cyclopropyl] ester; acetate IUPAC Name: 2-hydroxyethylazanium; (2-octadecanoyloxycyclopropyl) octadecanoate; acetate Traditional Name: 2-hydroxyethylammonium; stearic acid (2-stearoyloxycyclopropyl) ester; acetate Formula: C43H85NO7 MolecularWeight: 728.1375

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC(=O)OC1CC1OC(=O)CCCCCCCCCCCCCCCCC.CC(=O)[O-].C(CO)[NH3+]

Isomeric SMILES

CCCCCCCCCCCCCCCCCC(=O)OC1CC1OC(=O)CCCCCCCCCCCCCCCCC.CC(=O)[O-].C(CO)[NH3+]

InChI

InChI=1S/C39H74O4.C2H7NO.C2H4O2/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-38(40)42-36-35-37(36)43-39(41)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2;3-1-2-4;1-2(3)4/h36-37H,3-35H2,1-2H3;4H,1-3H2;1H3,(H,3,4)