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

Systemtic Name: disodium (2E)-3-oxidanylidene-2-(3-oxidanylidene-5-sulfo-1H-indol-2-ylidene)-1H-indole-5-sulfonate Openeye Name: disodium (2E)-3-oxo-2-(3-oxo-5-sulfo-indolin-2-ylidene)indoline-5-sulfonate CAS Name: disodium (2E)-3-oxo-2-(3-oxo-5-sulfo-1H-indol-2-ylidene)-1H-indole-5-sulfonate IUPAC Name: disodium (2E)-3-oxo-2-(3-oxo-5-sulfo-1H-indol-2-ylidene)-1H-indole-5-sulfonate Traditional Name: disodium (2E)-3-keto-2-(3-keto-5-sulfo-indolin-2-ylidene)indoline-5-sulfonate Formula: C16H9N2Na2O8S2+ MolecularWeight: 467.3608

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=C1S(=O)(=O)O)C(=O)C(=C3C(=O)C4=C(N3)C=CC(=C4)S(=O)(=O)[O-])N2.[Na+].[Na+]

Isomeric SMILES

C1=CC2=C(C=C1S(=O)(=O)O)C(=O)/C(=C\3/C(=O)C4=C(N3)C=CC(=C4)S(=O)(=O)[O-])/N2.[Na+].[Na+]

InChI

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