oxidanidyl hydrogen sulfate; triphenyl-[[2-(triphenylphosphaniumylmethyl)phenyl]methyl]phosphanium

Systemtic Name: oxidanidyl hydrogen sulfate; triphenyl-[[2-(triphenylphosphaniumylmethyl)phenyl]methyl]phosphanium Openeye Name: oxido hydrogen sulfate; triphenyl-[[2-(triphenylphosphaniumylmethyl)phenyl]methyl]phosphonium CAS Name: sulfuric acid oxido ester; triphenyl-[[2-(triphenylphosphiniumylmethyl)phenyl]methyl]phosphonium IUPAC Name: oxido hydrogen sulfate; triphenyl-[[2-(triphenylphosphaniumylmethyl)phenyl]methyl]phosphanium Traditional Name: sulfuric acid oxido ester; triphenyl-[2-(triphenylphosphiniumylmethyl)benzyl]phosphonium Formula: C44H40O10P2S2 MolecularWeight: 854.859922

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)[P+](CC2=CC=CC=C2C[P+](C3=CC=CC=C3)(C4=CC=CC=C4)C5=CC=CC=C5)(C6=CC=CC=C6)C7=CC=CC=C7.OS(=O)(=O)O[O-].OS(=O)(=O)O[O-]

Isomeric SMILES

C1=CC=C(C=C1)[P+](CC2=CC=CC=C2C[P+](C3=CC=CC=C3)(C4=CC=CC=C4)C5=CC=CC=C5)(C6=CC=CC=C6)C7=CC=CC=C7.OS(=O)(=O)O[O-].OS(=O)(=O)O[O-]

InChI

InChI=1S/C44H38P2.2H2O5S/c1-7-23-39(24-8-1)45(40-25-9-2-10-26-40,41-27-11-3-12-28-41)35-37-21-19-20-22-38(37)36-46(42-29-13-4-14-30-42,43-31-15-5-16-32-43)44-33-17-6-18-34-44;2*1-5-6(2,3)4/h1-34H,35-36H2;2*1H,(H,2,3,4)/q+2;;/p-2