2-hydroxyethylazanium; 3,4,5-tris(oxidanyl)cyclohexene-1-carboxylate

Systemtic Name: 2-hydroxyethylazanium; 3,4,5-tris(oxidanyl)cyclohexene-1-carboxylate Openeye Name: 2-hydroxyethylammonium; 3,4,5-trihydroxycyclohexene-1-carboxylate CAS Name: 2-hydroxyethylammonium; 3,4,5-trihydroxy-1-cyclohexenecarboxylate IUPAC Name: 2-hydroxyethylazanium; 3,4,5-trihydroxycyclohexene-1-carboxylate Traditional Name: 2-hydroxyethylammonium; 3,4,5-trihydroxycyclohexene-1-carboxylate Formula: C9H17NO6 MolecularWeight: 235.23438

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Descriptors Computed from Structure

Canonical SMILES:

C1C(C(C(C=C1C(=O)[O-])O)O)O.C(CO)[NH3+]

Isomeric SMILES

C1C(C(C(C=C1C(=O)[O-])O)O)O.C(CO)[NH3+]

InChI

InChI=1S/C7H10O5.C2H7NO/c8-4-1-3(7(11)12)2-5(9)6(4)10;3-1-2-4/h1,4-6,8-10H,2H2,(H,11,12);4H,1-3H2