dodecyl-dimethyl-[(1R,2S)-1-oxidanyl-1-phenyl-propan-2-yl]azanium; molecular oxygen; oxidanylidenetungsten; phosphate

Systemtic Name: dodecyl-dimethyl-[(1R,2S)-1-oxidanyl-1-phenyl-propan-2-yl]azanium; molecular oxygen; oxidanylidenetungsten; phosphate Openeye Name: dodecyl-[(1S,2R)-2-hydroxy-1-methyl-2-phenyl-ethyl]-dimethyl-ammonium; molecular oxygen; oxotungsten; phosphate CAS Name: dodecyl-[(1R,2S)-1-hydroxy-1-phenylpropan-2-yl]-dimethylammonium; molecular oxygen; oxotungsten; phosphate IUPAC Name: dodecyl-[(1R,2S)-1-hydroxy-1-phenylpropan-2-yl]-dimethylazanium; molecular oxygen; oxotungsten; phosphate Traditional Name: [(1S,2R)-2-hydroxy-1-methyl-2-phenyl-ethyl]-lauryl-dimethyl-ammonium; ketotungsten; molecular oxygen; phosphate Formula: C69H126N3O27PW4 MolecularWeight: 2196.076401

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCC[N+](C)(C)C(C)C(C1=CC=CC=C1)O.CCCCCCCCCCCC[N+](C)(C)C(C)C(C1=CC=CC=C1)O.CCCCCCCCCCCC[N+](C)(C)C(C)C(C1=CC=CC=C1)O.[O-]P(=O)([O-])[O-].O=O.O=O.O=O.O=O.O=O.O=O.O=O.O=O.O=[W].O=[W].O=[W].O=[W]

Isomeric SMILES

CCCCCCCCCCCC[N+](C)(C)[C@@H](C)[C@@H](C1=CC=CC=C1)O.CCCCCCCCCCCC[N+](C)(C)[C@@H](C)[C@@H](C1=CC=CC=C1)O.CCCCCCCCCCCC[N+](C)(C)[C@@H](C)[C@@H](C1=CC=CC=C1)O.[O-]P(=O)([O-])[O-].O=O.O=O.O=O.O=O.O=O.O=O.O=O.O=O.O=[W].O=[W].O=[W].O=[W]

InChI

InChI=1S/3C23H42NO.H3O4P.8O2.4O.4W/c3*1-5-6-7-8-9-10-11-12-13-17-20-24(3,4)21(2)23(25)22-18-15-14-16-19-22;1-5(2,3)4;8*1-2;;;;;;;;/h3*14-16,18-19,21,23,25H,5-13,17,20H2,1-4H3;(H3,1,2,3,4);;;;;;;;;;;;;;;;/q3*+1;;;;;;;;;;;;;;;;;/p-3/t3*21-,23-;;;;;;;;;;;;;;;;;/m000................./s1