pyridin-1-ium; 3,4,5-tris(oxidanyl)cyclohexene-1-carboxylate

Systemtic Name: pyridin-1-ium; 3,4,5-tris(oxidanyl)cyclohexene-1-carboxylate Openeye Name: pyridin-1-ium; 3,4,5-trihydroxycyclohexene-1-carboxylate CAS Name: pyridin-1-ium; 3,4,5-trihydroxy-1-cyclohexenecarboxylate IUPAC Name: pyridin-1-ium; 3,4,5-trihydroxycyclohexene-1-carboxylate Traditional Name: pyridin-1-ium; 3,4,5-trihydroxycyclohexene-1-carboxylate Formula: C12H15NO5 MolecularWeight: 253.2512

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Descriptors Computed from Structure

Canonical SMILES:

C1C(C(C(C=C1C(=O)[O-])O)O)O.C1=CC=[NH+]C=C1

Isomeric SMILES

C1C(C(C(C=C1C(=O)[O-])O)O)O.C1=CC=[NH+]C=C1

InChI

InChI=1S/C7H10O5.C5H5N/c8-4-1-3(7(11)12)2-5(9)6(4)10;1-2-4-6-5-3-1/h1,4-6,8-10H,2H2,(H,11,12);1-5H