3-[1-(carboxymethyloxy)ethyl]-3-oxidanyl-nonadec-4-ynoic acid; 4,5-dihydro-1H-imidazol-1-ium

Systemtic Name: 3-[1-(carboxymethyloxy)ethyl]-3-oxidanyl-nonadec-4-ynoic acid; 4,5-dihydro-1H-imidazol-1-ium Openeye Name: 3-[1-(carboxymethyloxy)ethyl]-3-hydroxy-nonadec-4-ynoic acid; 4,5-dihydro-1H-imidazol-1-ium CAS Name: 3-[1-(carboxymethyloxy)ethyl]-3-hydroxy-4-nonadecynoic acid; 4,5-dihydro-1H-imidazol-1-ium IUPAC Name: 3-[1-(carboxymethyloxy)ethyl]-3-hydroxynonadec-4-ynoic acid; 4,5-dihydro-1H-imidazol-1-ium Traditional Name: 3-[1-(carboxymethyloxy)ethyl]-3-hydroxy-nonadec-4-ynoic acid; 2-imidazolin-1-ium Formula: C26H47N2O6+ MolecularWeight: 483.66118

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCC#CC(CC(=O)O)(C(C)OCC(=O)O)O.C1CN=C[NH2+]1

Isomeric SMILES

CCCCCCCCCCCCCCC#CC(CC(=O)O)(C(C)OCC(=O)O)O.C1CN=C[NH2+]1

InChI

InChI=1S/C23H40O6.C3H6N2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-23(28,18-21(24)25)20(2)29-19-22(26)27;1-2-5-3-4-1/h20,28H,3-15,18-19H2,1-2H3,(H,24,25)(H,26,27);3H,1-2H2,(H,4,5)/p+1