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

Systemtic Name: quinolin-1-ium; 3,4,5-tris(oxidanyl)cyclohexene-1-carboxylate Openeye Name: quinolin-1-ium; 3,4,5-trihydroxycyclohexene-1-carboxylate CAS Name: quinolin-1-ium; 3,4,5-trihydroxy-1-cyclohexenecarboxylate IUPAC Name: quinolin-1-ium; 3,4,5-trihydroxycyclohexene-1-carboxylate Traditional Name: quinolin-1-ium; 3,4,5-trihydroxycyclohexene-1-carboxylate Formula: C16H17NO5 MolecularWeight: 303.30988

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Descriptors Computed from Structure

Canonical SMILES:

C1C(C(C(C=C1C(=O)[O-])O)O)O.C1=CC=C2C(=C1)C=CC=[NH+]2

Isomeric SMILES

C1C(C(C(C=C1C(=O)[O-])O)O)O.C1=CC=C2C(=C1)C=CC=[NH+]2

InChI

InChI=1S/C9H7N.C7H10O5/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;1,4-6,8-10H,2H2,(H,11,12)