azanium; benzotrioxole-4-carboxylate; niobium(5+)

Systemtic Name: azanium; benzotrioxole-4-carboxylate; niobium(5+) Openeye Name: ammonium; benzotrioxole-4-carboxylate; niobium(5+) CAS Name: ammonium; 4-benzotrioxolecarboxylate; niobium(5+) IUPAC Name: azanium; benzotrioxole-4-carboxylate; niobium(5+) Traditional Name: ammonium; benzotrioxole-4-carboxylate; niobium(5+) Formula: C35H19NNbO25+ MolecularWeight: 946.42344

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C2C(=C1)OOO2)C(=O)[O-].C1=CC(=C2C(=C1)OOO2)C(=O)[O-].C1=CC(=C2C(=C1)OOO2)C(=O)[O-].C1=CC(=C2C(=C1)OOO2)C(=O)[O-].C1=CC(=C2C(=C1)OOO2)C(=O)[O-].[NH4+].[Nb+5]

Isomeric SMILES

C1=CC(=C2C(=C1)OOO2)C(=O)[O-].C1=CC(=C2C(=C1)OOO2)C(=O)[O-].C1=CC(=C2C(=C1)OOO2)C(=O)[O-].C1=CC(=C2C(=C1)OOO2)C(=O)[O-].C1=CC(=C2C(=C1)OOO2)C(=O)[O-].[NH4+].[Nb+5]

InChI

InChI=1S/5C7H4O5.H3N.Nb/c5*8-7(9)4-2-1-3-5-6(4)11-12-10-5;;/h5*1-3H,(H,8,9);1H3;/q;;;;;;+5/p-4