ethyl 2-[1-ethoxycarbonyl-1,2-bis(oxidanyl)quinolin-1-ium-2-yl]oxy-1,2-bis(oxidanyl)quinolin-1-ium-1-carboxylate

Systemtic Name: ethyl 2-[1-ethoxycarbonyl-1,2-bis(oxidanyl)quinolin-1-ium-2-yl]oxy-1,2-bis(oxidanyl)quinolin-1-ium-1-carboxylate Openeye Name: ethyl 2-(1-ethoxycarbonyl-1,2-dihydroxy-quinolin-1-ium-2-yl)oxy-1,2-dihydroxy-quinolin-1-ium-1-carboxylate CAS Name: 2-[(1-ethoxycarbonyl-1,2-dihydroxy-2-quinolin-1-iumyl)oxy]-1,2-dihydroxy-1-quinolin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 2-(1-ethoxycarbonyl-1,2-dihydroxyquinolin-1-ium-2-yl)oxy-1,2-dihydroxyquinolin-1-ium-1-carboxylate Traditional Name: 2-(1-carbethoxy-1,2-dihydroxy-quinolin-1-ium-2-yl)oxy-1,2-dihydroxy-quinolin-1-ium-1-carboxylic acid ethyl ester Formula: C24H26N2O9+2 MolecularWeight: 486.47124

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)[N+]1(C2=CC=CC=C2C=CC1(O)OC3(C=CC4=CC=CC=C4[N+]3(C(=O)OCC)O)O)O

Isomeric SMILES

CCOC(=O)[N+]1(C2=CC=CC=C2C=CC1(O)OC3(C=CC4=CC=CC=C4[N+]3(C(=O)OCC)O)O)O

InChI

InChI=1S/C24H26N2O9/c1-3-33-21(27)25(31)19-11-7-5-9-17(19)13-15-23(25,29)35-24(30)16-14-18-10-6-8-12-20(18)26(24,32)22(28)34-4-2/h5-16,29-32H,3-4H2,1-2H3/q+2