sodium [(2E)-2-[[1-(sulfonatomethyl)quinolin-1-ium-2-yl]methylidene]quinolin-1-yl]methanesulfonate

Systemtic Name: sodium [(2E)-2-[[1-(sulfonatomethyl)quinolin-1-ium-2-yl]methylidene]quinolin-1-yl]methanesulfonate Openeye Name: sodium [(2E)-2-[[1-(sulfonatomethyl)quinolin-1-ium-2-yl]methylene]-1-quinolyl]methanesulfonate CAS Name: sodium [(2E)-2-[[1-(sulfonatomethyl)-2-quinolin-1-iumyl]methylidene]-1-quinolinyl]methanesulfonate IUPAC Name: sodium [(2E)-2-[[1-(sulfonatomethyl)quinolin-1-ium-2-yl]methylidene]quinolin-1-yl]methanesulfonate Traditional Name: sodium [(2E)-2-[[1-(sulfonatomethyl)quinolin-1-ium-2-yl]methylene]-1-quinolyl]methanesulfonate Formula: C21H17N2NaO6S2 MolecularWeight: 480.48925

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=CC(=CC3=[N+](C4=CC=CC=C4C=C3)CS(=O)(=O)[O-])N2CS(=O)(=O)[O-].[Na+]

Isomeric SMILES

C1=CC=C2C(=C1)C=C/C(=C\C3=[N+](C4=CC=CC=C4C=C3)CS(=O)(=O)[O-])/N2CS(=O)(=O)[O-].[Na+]

InChI

InChI=1S/C21H18N2O6S2.Na/c24-30(25,26)14-22-18(11-9-16-5-1-3-7-20(16)22)13-19-12-10-17-6-2-4-8-21(17)23(19)15-31(27,28)29;/h1-13H,14-15H2,(H-,24,25,26,27,28,29);/q;+1/p-1