quinolin-1-ium-8-ol; (2R,3R)-2,3,4-tris(oxidanyl)-4-oxidanylidene-butanoate

Systemtic Name: quinolin-1-ium-8-ol; (2R,3R)-2,3,4-tris(oxidanyl)-4-oxidanylidene-butanoate Openeye Name: quinolin-1-ium-8-ol; (2R,3R)-2,3,4-trihydroxy-4-oxo-butanoate CAS Name: 8-quinolin-1-iumol; (2R,3R)-2,3,4-trihydroxy-4-oxobutanoate IUPAC Name: quinolin-1-ium-8-ol; (2R,3R)-2,3,4-trihydroxy-4-oxobutanoate Traditional Name: quinolin-1-ium-8-ol; (2R,3R)-2,3,4-trihydroxy-4-keto-butyrate Formula: C13H13NO7 MolecularWeight: 295.24482

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C(=C1)O)[NH+]=CC=C2.C(C(C(=O)[O-])O)(C(=O)O)O

Isomeric SMILES

C1=CC2=C(C(=C1)O)[NH+]=CC=C2.[C@@H]([C@H](C(=O)[O-])O)(C(=O)O)O

InChI

InChI=1S/C9H7NO.C4H6O6/c11-8-5-1-3-7-4-2-6-10-9(7)8;5-1(3(7)8)2(6)4(9)10/h1-6,11H;1-2,5-6H,(H,7,8)(H,9,10)/t;1-,2-/m.1/s1