4-methyl-8-[2-[(4-methyl-7-oxidanidyl-2-oxidanylidene-chromen-8-yl)methylideneamino]ethyliminomethyl]-2-oxidanylidene-chromen-7-olate; thorium(4+); dinitrate

Systemtic Name: 4-methyl-8-[2-[(4-methyl-7-oxidanidyl-2-oxidanylidene-chromen-8-yl)methylideneamino]ethyliminomethyl]-2-oxidanylidene-chromen-7-olate; thorium(4+); dinitrate Openeye Name: 4-methyl-8-[2-[(4-methyl-7-oxido-2-oxo-chromen-8-yl)methyleneamino]ethyliminomethyl]-2-oxo-chromen-7-olate; thorium(4+); dinitrate CAS Name: 4-methyl-8-[2-[(4-methyl-7-oxido-2-oxo-1-benzopyran-8-yl)methylideneamino]ethyliminomethyl]-2-oxo-1-benzopyran-7-olate; thorium(4+); dinitrate IUPAC Name: 4-methyl-8-[2-[(4-methyl-7-oxido-2-oxochromen-8-yl)methylideneamino]ethyliminomethyl]-2-oxochromen-7-olate; thorium(4+); dinitrate Traditional Name: 2-keto-8-[2-[(2-keto-4-methyl-7-oxido-chromen-8-yl)methyleneamino]ethyliminomethyl]-4-methyl-chromen-7-olate; thorium(4+); dinitrate Formula: C24H18N4O12Th MolecularWeight: 786.45742

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=O)OC2=C1C=CC(=C2C=NCCN=CC3=C(C=CC4=C3OC(=O)C=C4C)[O-])[O-].[N+](=O)([O-])[O-].[N+](=O)([O-])[O-].[Th+4]

Isomeric SMILES

CC1=CC(=O)OC2=C1C=CC(=C2C=NCCN=CC3=C(C=CC4=C3OC(=O)C=C4C)[O-])[O-].[N+](=O)([O-])[O-].[N+](=O)([O-])[O-].[Th+4]

InChI

InChI=1S/C24H20N2O6.2NO3.Th/c1-13-9-21(29)31-23-15(13)3-5-19(27)17(23)11-25-7-8-26-12-18-20(28)6-4-16-14(2)10-22(30)32-24(16)18;2*2-1(3)4;/h3-6,9-12,27-28H,7-8H2,1-2H3;;;/q;2*-1;+4/p-2