(1R,2R,3R)-1-(1-oxidanidyl-4-oxidanylidene-quinoxalin-4-ium-2-yl)butane-1,2,3,4-tetrol

Systemtic Name: (1R,2R,3R)-1-(1-oxidanidyl-4-oxidanylidene-quinoxalin-4-ium-2-yl)butane-1,2,3,4-tetrol Openeye Name: (1R,2R,3R)-1-(1-oxido-4-oxo-quinoxalin-4-ium-2-yl)butane-1,2,3,4-tetrol CAS Name: (1R,2R,3R)-1-(1-oxido-4-oxo-2-quinoxalin-4-iumyl)butane-1,2,3,4-tetrol IUPAC Name: (1R,2R,3R)-1-(1-oxido-4-oxoquinoxalin-4-ium-2-yl)butane-1,2,3,4-tetrol Traditional Name: (1R,2R,3R)-1-(4-keto-1-oxido-quinoxalin-4-ium-2-yl)butane-1,2,3,4-tetrol Formula: C12H14N2O6 MolecularWeight: 282.24936

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N(C(=C[N+]2=O)C(C(C(CO)O)O)O)[O-]

Isomeric SMILES

C1=CC=C2C(=C1)N(C(=C[N+]2=O)[C@H]([C@H]([C@@H](CO)O)O)O)[O-]

InChI

InChI=1S/C12H14N2O6/c15-6-10(16)12(18)11(17)9-5-13(19)7-3-1-2-4-8(7)14(9)20/h1-5,10-12,15-18H,6H2/t10-,11-,12+/m1/s1