sodium [(2Z)-5-methyl-2-[[5-methyl-3-(sulfonatomethyl)-1,3-benzoselenazol-3-ium-2-yl]methylidene]-1,3-benzoselenazol-3-yl]methanesulfonate

Systemtic Name: sodium [(2Z)-5-methyl-2-[[5-methyl-3-(sulfonatomethyl)-1,3-benzoselenazol-3-ium-2-yl]methylidene]-1,3-benzoselenazol-3-yl]methanesulfonate Openeye Name: sodium [(2Z)-5-methyl-2-[[5-methyl-3-(sulfonatomethyl)-1,3-benzoselenazol-3-ium-2-yl]methylene]-1,3-benzoselenazol-3-yl]methanesulfonate CAS Name: sodium [(2Z)-5-methyl-2-[[5-methyl-3-(sulfonatomethyl)-1,3-benzoselenazol-3-ium-2-yl]methylidene]-1,3-benzoselenazol-3-yl]methanesulfonate IUPAC Name: sodium [(2Z)-5-methyl-2-[[5-methyl-3-(sulfonatomethyl)-1,3-benzoselenazol-3-ium-2-yl]methylidene]-1,3-benzoselenazol-3-yl]methanesulfonate Traditional Name: sodium [(2Z)-5-methyl-2-[[5-methyl-3-(sulfonatomethyl)-1,3-benzoselenazol-3-ium-2-yl]methylene]-1,3-benzoselenazol-3-yl]methanesulfonate Formula: C19H17N2NaO6S2Se2 MolecularWeight: 614.38785

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)[Se]C(=CC3=[N+](C4=C([Se]3)C=CC(=C4)C)CS(=O)(=O)[O-])N2CS(=O)(=O)[O-].[Na+]

Isomeric SMILES

CC1=CC2=C(C=C1)[Se]/C(=C\C3=[N+](C4=C([Se]3)C=CC(=C4)C)CS(=O)(=O)[O-])/N2CS(=O)(=O)[O-].[Na+]

InChI

InChI=1S/C19H18N2O6S2Se2.Na/c1-12-3-5-16-14(7-12)20(10-28(22,23)24)18(30-16)9-19-21(11-29(25,26)27)15-8-13(2)4-6-17(15)31-19;/h3-9H,10-11H2,1-2H3,(H-,22,23,24,25,26,27);/q;+1/p-1