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

Systemtic Name: pyridin-1-ium; 3,4,5-tris(oxidanyl)benzoate Openeye Name: pyridin-1-ium; 3,4,5-trihydroxybenzoate CAS Name: pyridin-1-ium; 3,4,5-trihydroxybenzoate IUPAC Name: pyridin-1-ium; 3,4,5-trihydroxybenzoate Traditional Name: pyridin-1-ium; 3,4,5-trihydroxybenzoate Formula: C12H11NO5 MolecularWeight: 249.21944

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=[NH+]C=C1.C1=C(C=C(C(=C1O)O)O)C(=O)[O-]

Isomeric SMILES

C1=CC=[NH+]C=C1.C1=C(C=C(C(=C1O)O)O)C(=O)[O-]

InChI

InChI=1S/C7H6O5.C5H5N/c8-4-1-3(7(11)12)2-5(9)6(4)10;1-2-4-6-5-3-1/h1-2,8-10H,(H,11,12);1-5H