4-(carboxymethyl)-3-hexyl-1,2,3-oxadiazol-3-ium-5-olate

Systemtic Name: 4-(carboxymethyl)-3-hexyl-1,2,3-oxadiazol-3-ium-5-olate Openeye Name: 4-(carboxymethyl)-3-hexyl-oxadiazol-3-ium-5-olate CAS Name: 4-(carboxymethyl)-3-hexyl-5-oxadiazol-3-iumolate IUPAC Name: 4-(carboxymethyl)-3-hexyloxadiazol-3-ium-5-olate Traditional Name: 4-(carboxymethyl)-3-hexyl-oxadiazol-3-ium-5-olate Formula: C10H16N2O4 MolecularWeight: 228.24504

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC[N+]1=NOC(=C1CC(=O)O)[O-]

Isomeric SMILES

CCCCCC[N+]1=NOC(=C1CC(=O)O)[O-]

InChI

InChI=1S/C10H16N2O4/c1-2-3-4-5-6-12-8(7-9(13)14)10(15)16-11-12/h2-7H2,1H3,(H-,11,13,14,15)