sodium; 4,5-dihydro-1H-imidazol-1-ium; 3-(hydroxymethyl)-3-oxidanyl-tetradecanoic acid

Systemtic Name: sodium; 4,5-dihydro-1H-imidazol-1-ium; 3-(hydroxymethyl)-3-oxidanyl-tetradecanoic acid Openeye Name: sodium; 4,5-dihydro-1H-imidazol-1-ium; 3-hydroxy-3-(hydroxymethyl)tetradecanoic acid CAS Name: sodium; 4,5-dihydro-1H-imidazol-1-ium; 3-hydroxy-3-(hydroxymethyl)tetradecanoic acid IUPAC Name: sodium; 4,5-dihydro-1H-imidazol-1-ium; 3-hydroxy-3-(hydroxymethyl)tetradecanoic acid Traditional Name: sodium; 3-hydroxy-3-methylol-myristic acid; 2-imidazolin-1-ium Formula: C18H37N2NaO4+2 MolecularWeight: 368.48715

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCC(CC(=O)O)(CO)O.C1CN=C[NH2+]1.[Na+]

Isomeric SMILES

CCCCCCCCCCCC(CC(=O)O)(CO)O.C1CN=C[NH2+]1.[Na+]

InChI

InChI=1S/C15H30O4.C3H6N2.Na/c1-2-3-4-5-6-7-8-9-10-11-15(19,13-16)12-14(17)18;1-2-5-3-4-1;/h16,19H,2-13H2,1H3,(H,17,18);3H,1-2H2,(H,4,5);/q;;+1/p+1