3-methyl-5H-1,3-oxazol-3-ium-2-one sulfate

Systemtic Name: 3-methyl-5H-1,3-oxazol-3-ium-2-one sulfate Openeye Name: 3-methyl-5H-oxazol-3-ium-2-one sulfate CAS Name: 3-methyl-5H-oxazol-3-ium-2-one sulfate IUPAC Name: 3-methyl-5H-1,3-oxazol-3-ium-2-one sulfate Traditional Name: 3-methyl-3-oxazolin-3-ium-2-one sulfate Formula: C8H12N2O8S MolecularWeight: 296.25448

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=CCOC1=O.C[N+]1=CCOC1=O.[O-]S(=O)(=O)[O-]

Isomeric SMILES

C[N+]1=CCOC1=O.C[N+]1=CCOC1=O.[O-]S(=O)(=O)[O-]

InChI

InChI=1S/2C4H6NO2.H2O4S/c2*1-5-2-3-7-4(5)6;1-5(2,3)4/h2*2H,3H2,1H3;(H2,1,2,3,4)/q2*+1;/p-2