dihydrogen phosphate; hydrogen peroxide; niobium; 1-tetradecylpyridin-1-ium; hexahydrate

Systemtic Name: dihydrogen phosphate; hydrogen peroxide; niobium; 1-tetradecylpyridin-1-ium; hexahydrate Openeye Name: dihydrogen phosphate; hydrogen peroxide; niobium; 1-tetradecylpyridin-1-ium; hexahydrate CAS Name: dihydrogen phosphate; hydrogen peroxide; niobium; 1-tetradecylpyridin-1-ium; hexahydrate IUPAC Name: dihydrogen phosphate; hydrogen peroxide; niobium; 1-tetradecylpyridin-1-ium; hexahydrate Traditional Name: dihydrogen phosphate; hydrogen peroxide; 1-myristylpyridin-1-ium; niobium; hexahydrate Formula: C38H88N2Nb4O18P2 MolecularWeight: 1294.680962

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCC[N+]1=CC=CC=C1.CCCCCCCCCCCCCC[N+]1=CC=CC=C1.O.O.O.O.O.O.OO.OO.OP(=O)(O)[O-].OP(=O)(O)[O-].[Nb].[Nb].[Nb].[Nb]

Isomeric SMILES

CCCCCCCCCCCCCC[N+]1=CC=CC=C1.CCCCCCCCCCCCCC[N+]1=CC=CC=C1.O.O.O.O.O.O.OO.OO.OP(=O)(O)[O-].OP(=O)(O)[O-].[Nb].[Nb].[Nb].[Nb]

InChI

InChI=1S/2C19H34N.4Nb.2H3O4P.2H2O2.6H2O/c2*1-2-3-4-5-6-7-8-9-10-11-12-14-17-20-18-15-13-16-19-20;;;;;2*1-5(2,3)4;2*1-2;;;;;;/h2*13,15-16,18-19H,2-12,14,17H2,1H3;;;;;2*(H3,1,2,3,4);2*1-2H;6*1H2/q2*+1;;;;;;;;;;;;;;/p-2