dimethyl(phenyl)phosphane; technetium(6+); icosaperchlorate; dihydrate

Systemtic Name: dimethyl(phenyl)phosphane; technetium(6+); icosaperchlorate; dihydrate Openeye Name: dimethyl(phenyl)phosphane; technetium(6+); icosaperchlorate; dihydrate CAS Name: dimethyl(phenyl)phosphine; technetium(6+); eicosaperchlorate; dihydrate IUPAC Name: dimethyl(phenyl)phosphane; technetium(6+); icosaperchlorate; dihydrate Traditional Name: dimethyl(phenyl)phosphine; technetium(6+); eicosaperchlorate; dihydrate Formula: C32H44Cl20O82P4Tc4 MolecularWeight: 2965.226468

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Descriptors Computed from Structure

Canonical SMILES:

CP(C)C1=CC=CC=[C-]1.CP(C)C1=CC=CC=[C-]1.CP(C)C1=CC=CC=[C-]1.CP(C)C1=CC=CC=[C-]1.O.O.[O-]Cl(=O)(=O)=O.[O-]Cl(=O)(=O)=O.[O-]Cl(=O)(=O)=O.[O-]Cl(=O)(=O)=O.[O-]Cl(=O)(=O)=O.[O-]Cl(=O)(=O)=O.[O-]Cl(=O)(=O)=O.[O-]Cl(=O)(=O)=O.[O-]Cl(=O)(=O)=O.[O-]Cl(=O)(=O)=O.[O-]Cl(=O)(=O)=O.[O-]Cl(=O)(=O)=O.[O-]Cl(=O)(=O)=O.[O-]Cl(=O)(=O)=O.[O-]Cl(=O)(=O)=O.[O-]Cl(=O)(=O)=O.[O-]Cl(=O)(=O)=O.[O-]Cl(=O)(=O)=O.[O-]Cl(=O)(=O)=O.[O-]Cl(=O)(=O)=O.[Tc+6].[Tc+6].[Tc+6].[Tc+6]

Isomeric SMILES

CP(C)C1=CC=CC=[C-]1.CP(C)C1=CC=CC=[C-]1.CP(C)C1=CC=CC=[C-]1.CP(C)C1=CC=CC=[C-]1.O.O.[O-]Cl(=O)(=O)=O.[O-]Cl(=O)(=O)=O.[O-]Cl(=O)(=O)=O.[O-]Cl(=O)(=O)=O.[O-]Cl(=O)(=O)=O.[O-]Cl(=O)(=O)=O.[O-]Cl(=O)(=O)=O.[O-]Cl(=O)(=O)=O.[O-]Cl(=O)(=O)=O.[O-]Cl(=O)(=O)=O.[O-]Cl(=O)(=O)=O.[O-]Cl(=O)(=O)=O.[O-]Cl(=O)(=O)=O.[O-]Cl(=O)(=O)=O.[O-]Cl(=O)(=O)=O.[O-]Cl(=O)(=O)=O.[O-]Cl(=O)(=O)=O.[O-]Cl(=O)(=O)=O.[O-]Cl(=O)(=O)=O.[O-]Cl(=O)(=O)=O.[Tc+6].[Tc+6].[Tc+6].[Tc+6]

InChI

InChI=1S/4C8H10P.20ClHO4.2H2O.4Tc/c4*1-9(2)8-6-4-3-5-7-8;20*2-1(3,4)5;;;;;;/h4*3-6H,1-2H3;20*(H,2,3,4,5);2*1H2;;;;/q4*-1;;;;;;;;;;;;;;;;;;;;;;;4*+6/p-20