disodium 2-(7-oxidanidyloxysulfanylquinolin-2-yl)-1,3-bis(oxidanylidene)indene-5-sulfonate

Systemtic Name: disodium 2-(7-oxidanidyloxysulfanylquinolin-2-yl)-1,3-bis(oxidanylidene)indene-5-sulfonate Openeye Name: disodium 2-(7-oxidooxysulfanyl-2-quinolyl)-1,3-dioxo-indane-5-sulfonate CAS Name: disodium 2-[7-(oxidooxythio)-2-quinolinyl]-1,3-dioxo-5-indenesulfonate IUPAC Name: disodium 2-(7-oxidooxysulfanylquinolin-2-yl)-1,3-dioxoindene-5-sulfonate Traditional Name: disodium 1,3-diketo-2-[7-(oxidooxythio)-2-quinolyl]indane-5-sulfonate Formula: C18H9NNa2O7S2 MolecularWeight: 461.3761

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC2=C1C=CC(=N2)C3C(=O)C4=C(C3=O)C=C(C=C4)S(=O)(=O)[O-])SO[O-].[Na+].[Na+]

Isomeric SMILES

C1=CC(=CC2=C1C=CC(=N2)C3C(=O)C4=C(C3=O)C=C(C=C4)S(=O)(=O)[O-])SO[O-].[Na+].[Na+]

InChI

InChI=1S/C18H11NO7S2.2Na/c20-17-12-5-4-11(28(23,24)25)8-13(12)18(21)16(17)14-6-2-9-1-3-10(27-26-22)7-15(9)19-14;;/h1-8,16,22H,(H,23,24,25);;/q;2*+1/p-2