disodium (2E)-3-oxidanylidene-2-(3-oxidanylidene-5-sulfonato-1H-indol-2-ylidene)-1H-indole-7-sulfonate

Systemtic Name: disodium (2E)-3-oxidanylidene-2-(3-oxidanylidene-5-sulfonato-1H-indol-2-ylidene)-1H-indole-7-sulfonate Openeye Name: disodium (2E)-3-oxo-2-(3-oxo-5-sulfonato-indolin-2-ylidene)indoline-7-sulfonate CAS Name: disodium (2E)-3-oxo-2-(3-oxo-5-sulfonato-1H-indol-2-ylidene)-1H-indole-7-sulfonate IUPAC Name: disodium (2E)-3-oxo-2-(3-oxo-5-sulfonato-1H-indol-2-ylidene)-1H-indole-7-sulfonate Traditional Name: disodium (2E)-3-keto-2-(3-keto-5-sulfonato-indolin-2-ylidene)indoline-7-sulfonate Formula: C16H8N2Na2O8S2 MolecularWeight: 466.35286

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C(=C1)S(=O)(=O)[O-])NC(=C3C(=O)C4=C(N3)C=CC(=C4)S(=O)(=O)[O-])C2=O.[Na+].[Na+]

Isomeric SMILES

C1=CC2=C(C(=C1)S(=O)(=O)[O-])N/C(=C/3\C(=O)C4=C(N3)C=CC(=C4)S(=O)(=O)[O-])/C2=O.[Na+].[Na+]

InChI

InChI=1S/C16H10N2O8S2.2Na/c19-15-8-2-1-3-11(28(24,25)26)12(8)18-14(15)13-16(20)9-6-7(27(21,22)23)4-5-10(9)17-13;;/h1-6,17-18H,(H,21,22,23)(H,24,25,26);;/q;2*+1/p-2/b14-13+;;