3-(2-cyclohexyl-3-oxidanidyl-5-oxidanylidene-2H-1,3-oxazol-3-ium-4-yl)propanoic acid

Systemtic Name: 3-(2-cyclohexyl-3-oxidanidyl-5-oxidanylidene-2H-1,3-oxazol-3-ium-4-yl)propanoic acid Openeye Name: 3-(2-cyclohexyl-3-oxido-5-oxo-2H-oxazol-3-ium-4-yl)propanoic acid CAS Name: 3-(2-cyclohexyl-3-oxido-5-oxo-2H-oxazol-3-ium-4-yl)propanoic acid IUPAC Name: 3-(2-cyclohexyl-3-oxido-5-oxo-2H-1,3-oxazol-3-ium-4-yl)propanoic acid Traditional Name: 3-(2-cyclohexyl-5-keto-3-oxido-3-oxazolin-3-ium-4-yl)propionic acid Formula: C12H17NO5 MolecularWeight: 255.26708

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C2[N+](=C(C(=O)O2)CCC(=O)O)[O-]

Isomeric SMILES

C1CCC(CC1)C2[N+](=C(C(=O)O2)CCC(=O)O)[O-]

InChI

InChI=1S/C12H17NO5/c14-10(15)7-6-9-12(16)18-11(13(9)17)8-4-2-1-3-5-8/h8,11H,1-7H2,(H,14,15)