oxane-2,4,5-triol; 4-oxidanidyl-5-prop-1-en-2-yl-1H-pyrazin-4-ium-2-one

Systemtic Name: oxane-2,4,5-triol; 4-oxidanidyl-5-prop-1-en-2-yl-1H-pyrazin-4-ium-2-one Openeye Name: 5-isopropenyl-4-oxido-1H-pyrazin-4-ium-2-one; tetrahydropyran-2,4,5-triol CAS Name: 5-(1-methylethenyl)-4-oxido-1H-pyrazin-4-ium-2-one; oxane-2,4,5-triol IUPAC Name: oxane-2,4,5-triol; 4-oxido-5-prop-1-en-2-yl-1H-pyrazin-4-ium-2-one Traditional Name: 5-isopropenyl-4-oxido-1H-pyrazin-4-ium-2-one; tetrahydropyran-2,4,5-triol Formula: C12H18N2O6 MolecularWeight: 286.28112

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Descriptors Computed from Structure

Canonical SMILES:

CC(=C)C1=CNC(=O)C=[N+]1[O-].C1C(C(COC1O)O)O

Isomeric SMILES

CC(=C)C1=CNC(=O)C=[N+]1[O-].C1C(C(COC1O)O)O

InChI

InChI=1S/C7H8N2O2.C5H10O4/c1-5(2)6-3-8-7(10)4-9(6)11;6-3-1-5(8)9-2-4(3)7/h3-4H,1H2,2H3,(H,8,10);3-8H,1-2H2