tetrasodium (2E)-3-oxidanylidene-2-(3-oxidanylidene-5,7-disulfonato-1H-indol-2-ylidene)-1H-indole-5,7-disulfonate

Systemtic Name: tetrasodium (2E)-3-oxidanylidene-2-(3-oxidanylidene-5,7-disulfonato-1H-indol-2-ylidene)-1H-indole-5,7-disulfonate Openeye Name: tetrasodium (2E)-3-oxo-2-(3-oxo-5,7-disulfonato-indolin-2-ylidene)indoline-5,7-disulfonate CAS Name: tetrasodium (2E)-3-oxo-2-(3-oxo-5,7-disulfonato-1H-indol-2-ylidene)-1H-indole-5,7-disulfonate IUPAC Name: tetrasodium (2E)-3-oxo-2-(3-oxo-5,7-disulfonato-1H-indol-2-ylidene)-1H-indole-5,7-disulfonate Traditional Name: tetrasodium (2E)-3-keto-2-(3-keto-5,7-disulfonato-indolin-2-ylidene)indoline-5,7-disulfonate Formula: C16H6N2Na4O14S4 MolecularWeight: 670.44292

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Descriptors Computed from Structure

Canonical SMILES:

C1=C(C=C2C(=C1S(=O)(=O)[O-])NC(=C3C(=O)C4=CC(=CC(=C4N3)S(=O)(=O)[O-])S(=O)(=O)[O-])C2=O)S(=O)(=O)[O-].[Na+].[Na+].[Na+].[Na+]

Isomeric SMILES

C1=C(C=C2C(=C1S(=O)(=O)[O-])N/C(=C/3\C(=O)C4=CC(=CC(=C4N3)S(=O)(=O)[O-])S(=O)(=O)[O-])/C2=O)S(=O)(=O)[O-].[Na+].[Na+].[Na+].[Na+]

InChI

InChI=1S/C16H10N2O14S4.4Na/c19-15-7-1-5(33(21,22)23)3-9(35(27,28)29)11(7)17-13(15)14-16(20)8-2-6(34(24,25)26)4-10(12(8)18-14)36(30,31)32;;;;/h1-4,17-18H,(H,21,22,23)(H,24,25,26)(H,27,28,29)(H,30,31,32);;;;/q;4*+1/p-4/b14-13+;;;;