aluminum sodium (2E)-3-oxidanylidene-2-(3-oxidanylidene-5-sulfonato-1H-indol-2-ylidene)-1H-indole-5-sulfonate

Systemtic Name: aluminum sodium (2E)-3-oxidanylidene-2-(3-oxidanylidene-5-sulfonato-1H-indol-2-ylidene)-1H-indole-5-sulfonate Openeye Name: aluminum sodium (2E)-3-oxo-2-(3-oxo-5-sulfonato-indolin-2-ylidene)indoline-5-sulfonate CAS Name: aluminum sodium (2E)-3-oxo-2-(3-oxo-5-sulfonato-1H-indol-2-ylidene)-1H-indole-5-sulfonate IUPAC Name: aluminum sodium (2E)-3-oxo-2-(3-oxo-5-sulfonato-1H-indol-2-ylidene)-1H-indole-5-sulfonate Traditional Name: aluminum sodium (2E)-3-keto-2-(3-keto-5-sulfonato-indolin-2-ylidene)indoline-5-sulfonate Formula: C32H16AlN4NaO16S4 MolecularWeight: 890.717948

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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.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+].[Al+3]

Isomeric SMILES

C1=CC2=C(C(=O)/C(=C/3\NC4=C(C3=O)C=C(C=C4)S(=O)(=O)[O-])/N2)C=C1S(=O)(=O)[O-].C1=CC2=C(C(=O)/C(=C/3\NC4=C(C3=O)C=C(C=C4)S(=O)(=O)[O-])/N2)C=C1S(=O)(=O)[O-].[Na+].[Al+3]

InChI

InChI=1S/2C16H10N2O8S2.Al.Na/c2*19-15-9-5-7(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;;/h2*1-6,17-18H,(H,21,22,23)(H,24,25,26);;/q;;+3;+1/p-4/b2*14-13+;;