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

Systemtic Name: quinolin-1-ium; 3,4,5-tris(oxidanyl)benzoate Openeye Name: quinolin-1-ium; 3,4,5-trihydroxybenzoate CAS Name: quinolin-1-ium; 3,4,5-trihydroxybenzoate IUPAC Name: quinolin-1-ium; 3,4,5-trihydroxybenzoate Traditional Name: quinolin-1-ium; 3,4,5-trihydroxybenzoate Formula: C16H13NO5 MolecularWeight: 299.27812

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=CC=[NH+]2.C1=C(C=C(C(=C1O)O)O)C(=O)[O-]

Isomeric SMILES

C1=CC=C2C(=C1)C=CC=[NH+]2.C1=C(C=C(C(=C1O)O)O)C(=O)[O-]

InChI

InChI=1S/C9H7N.C7H6O5/c1-2-6-9-8(4-1)5-3-7-10-9;8-4-1-3(7(11)12)2-5(9)6(4)10/h1-7H;1-2,8-10H,(H,11,12)