1-hexadecylpyridin-1-ium; hydrogen peroxide; oxidanylidenetungsten; phosphate

Systemtic Name: 1-hexadecylpyridin-1-ium; hydrogen peroxide; oxidanylidenetungsten; phosphate Openeye Name: 1-hexadecylpyridin-1-ium; hydrogen peroxide; oxotungsten; phosphate CAS Name: 1-hexadecylpyridin-1-ium; hydrogen peroxide; oxotungsten; phosphate IUPAC Name: 1-hexadecylpyridin-1-ium; hydrogen peroxide; oxotungsten; phosphate Traditional Name: 1-cetylpyridin-1-ium; hydrogen peroxide; ketotungsten; phosphate Formula: C63H130N3O24PW4 MolecularWeight: 2080.045761

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCC[N+]1=CC=CC=C1.CCCCCCCCCCCCCCCC[N+]1=CC=CC=C1.CCCCCCCCCCCCCCCC[N+]1=CC=CC=C1.OO.OO.OO.OO.OO.OO.OO.OO.[O-]P(=O)([O-])[O-].O=[W].O=[W].O=[W].O=[W]

Isomeric SMILES

CCCCCCCCCCCCCCCC[N+]1=CC=CC=C1.CCCCCCCCCCCCCCCC[N+]1=CC=CC=C1.CCCCCCCCCCCCCCCC[N+]1=CC=CC=C1.OO.OO.OO.OO.OO.OO.OO.OO.[O-]P(=O)([O-])[O-].O=[W].O=[W].O=[W].O=[W]

InChI

InChI=1S/3C21H38N.H3O4P.8H2O2.4O.4W/c3*1-2-3-4-5-6-7-8-9-10-11-12-13-14-16-19-22-20-17-15-18-21-22;1-5(2,3)4;8*1-2;;;;;;;;/h3*15,17-18,20-21H,2-14,16,19H2,1H3;(H3,1,2,3,4);8*1-2H;;;;;;;;/q3*+1;;;;;;;;;;;;;;;;;/p-3