dimethyl (4S,5S)-2-oxidanidyl-4-(2-oxidanylidenepropyl)-4,5-dihydro-1,2-oxazol-2-ium-3,5-dicarboxylate

Systemtic Name: dimethyl (4S,5S)-2-oxidanidyl-4-(2-oxidanylidenepropyl)-4,5-dihydro-1,2-oxazol-2-ium-3,5-dicarboxylate Openeye Name: dimethyl (4S,5S)-4-acetonyl-2-oxido-4,5-dihydroisoxazol-2-ium-3,5-dicarboxylate CAS Name: (4S,5S)-2-oxido-4-(2-oxopropyl)-4,5-dihydroisoxazol-2-ium-3,5-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl (4S,5S)-2-oxido-4-(2-oxopropyl)-4,5-dihydro-1,2-oxazol-2-ium-3,5-dicarboxylate Traditional Name: (4S,5S)-4-acetonyl-2-oxido-2-isoxazolin-2-ium-3,5-dicarboxylic acid dimethyl ester Formula: C10H13NO7 MolecularWeight: 259.21272

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CC1C(O[N+](=C1C(=O)OC)[O-])C(=O)OC

Isomeric SMILES

CC(=O)C[C@@H]1[C@H](O[N+](=C1C(=O)OC)[O-])C(=O)OC

InChI

InChI=1S/C10H13NO7/c1-5(12)4-6-7(9(13)16-2)11(15)18-8(6)10(14)17-3/h6,8H,4H2,1-3H3/t6-,8-/m0/s1