ethyl (5S)-2-oxidanidyl-4-oxidanyl-5-[(S)-oxidanyl(phenyl)methyl]-4,5-dihydro-1,2-oxazol-2-ium-3-carboxylate

Systemtic Name: ethyl (5S)-2-oxidanidyl-4-oxidanyl-5-[(S)-oxidanyl(phenyl)methyl]-4,5-dihydro-1,2-oxazol-2-ium-3-carboxylate Openeye Name: ethyl (5S)-4-hydroxy-5-[(S)-hydroxy(phenyl)methyl]-2-oxido-4,5-dihydroisoxazol-2-ium-3-carboxylate CAS Name: (5S)-4-hydroxy-5-[(S)-hydroxy(phenyl)methyl]-2-oxido-4,5-dihydroisoxazol-2-ium-3-carboxylic acid ethyl ester IUPAC Name: ethyl (5S)-4-hydroxy-5-[(S)-hydroxy(phenyl)methyl]-2-oxido-4,5-dihydro-1,2-oxazol-2-ium-3-carboxylate Traditional Name: (5S)-4-hydroxy-5-[(S)-hydroxy(phenyl)methyl]-2-oxido-2-isoxazolin-2-ium-3-carboxylic acid ethyl ester Formula: C13H15NO6 MolecularWeight: 281.2613

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=[N+](OC(C1O)C(C2=CC=CC=C2)O)[O-]

Isomeric SMILES

CCOC(=O)C1=[N+](O[C@H](C1O)[C@H](C2=CC=CC=C2)O)[O-]

InChI

InChI=1S/C13H15NO6/c1-2-19-13(17)9-11(16)12(20-14(9)18)10(15)8-6-4-3-5-7-8/h3-7,10-12,15-16H,2H2,1H3/t10-,11?,12-/m0/s1