iron(2+); 1,2,3,4,5-pentamethylcyclopentane; 6-(phenylmethyl)-3,6,9-triphosphabicyclo[9.4.0]pentadeca-1(15),11,13-triene; hexafluorophosphate

Systemtic Name: iron(2+); 1,2,3,4,5-pentamethylcyclopentane; 6-(phenylmethyl)-3,6,9-triphosphabicyclo[9.4.0]pentadeca-1(15),11,13-triene; hexafluorophosphate Openeye Name: ferrous; 6-benzyl-3,6,9-triphosphabicyclo[9.4.0]pentadeca-1(15),11,13-triene; 1,2,3,4,5-pentamethylcyclopentane; hexafluorophosphate CAS Name: iron(2+); 1,2,3,4,5-pentamethylcyclopentane; 6-(phenylmethyl)-3,6,9-triphosphabicyclo[9.4.0]pentadeca-1(15),11,13-triene; hexafluorophosphate IUPAC Name: 6-benzyl-3,6,9-triphosphabicyclo[9.4.0]pentadeca-1(15),11,13-triene; iron(2+); 1,2,3,4,5-pentamethylcyclopentane; hexafluorophosphate Traditional Name: ferrous; 6-benzyl-3,6,9-triphosphabicyclo[9.4.0]pentadeca-1(15),11,13-triene; 1,2,3,4,5-pentamethylcyclopentane; hexafluorophosphate Formula: C29H40F6FeP4+ MolecularWeight: 682.358363

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Descriptors Computed from Structure

Canonical SMILES:

C[C]1[C]([C]([C]([C]1C)C)C)C.C1CP(CCPCC2=CC=CC=C2CP1)CC3=CC=CC=C3.F[P-](F)(F)(F)(F)F.[Fe+2]

Isomeric SMILES

C[C]1[C]([C]([C]([C]1C)C)C)C.C1CP(CCPCC2=CC=CC=C2CP1)CC3=CC=CC=C3.F[P-](F)(F)(F)(F)F.[Fe+2]

InChI

InChI=1S/C19H25P3.C10H15.F6P.Fe/c1-2-6-17(7-3-1)16-22-12-10-20-14-18-8-4-5-9-19(18)15-21-11-13-22;1-6-7(2)9(4)10(5)8(6)3;1-7(2,3,4,5)6;/h1-9,20-21H,10-16H2;1-5H3;;/q;;-1;+2