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

Systemtic Name: tripotassium (2E)-3-oxidanylidene-2-(3-oxidanylidene-5-sulfonato-1H-indol-2-ylidene)-1H-indole-5,7-disulfonate Openeye Name: tripotassium (2E)-3-oxo-2-(3-oxo-5-sulfonato-indolin-2-ylidene)indoline-5,7-disulfonate CAS Name: tripotassium (2E)-3-oxo-2-(3-oxo-5-sulfonato-1H-indol-2-ylidene)-1H-indole-5,7-disulfonate IUPAC Name: tripotassium (2E)-3-oxo-2-(3-oxo-5-sulfonato-1H-indol-2-ylidene)-1H-indole-5,7-disulfonate Traditional Name: tripotassium (2E)-3-keto-2-(3-keto-5-sulfonato-indolin-2-ylidene)indoline-5,7-disulfonate Formula: C16H7K3N2O11S3 MolecularWeight: 616.72348

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=C1S(=O)(=O)[O-])C(=O)C(=C3C(=O)C4=CC(=CC(=C4N3)S(=O)(=O)[O-])S(=O)(=O)[O-])N2.[K+].[K+].[K+]

Isomeric SMILES

C1=CC2=C(C=C1S(=O)(=O)[O-])C(=O)/C(=C\3/C(=O)C4=CC(=CC(=C4N3)S(=O)(=O)[O-])S(=O)(=O)[O-])/N2.[K+].[K+].[K+]

InChI

InChI=1S/C16H10N2O11S3.3K/c19-15-8-3-6(30(21,22)23)1-2-10(8)17-13(15)14-16(20)9-4-7(31(24,25)26)5-11(12(9)18-14)32(27,28)29;;;/h1-5,17-18H,(H,21,22,23)(H,24,25,26)(H,27,28,29);;;/q;3*+1/p-3/b14-13+;;;