1H-inden-1-id-2-yl(diphenyl)phosphane; 2-pentan-2-ylcyclopenta-1,3-diene; zirconium(2+); difluoride

Systemtic Name: 1H-inden-1-id-2-yl(diphenyl)phosphane; 2-pentan-2-ylcyclopenta-1,3-diene; zirconium(2+); difluoride Openeye Name: 1H-inden-1-id-2-yl(diphenyl)phosphane; 2-(1-methylbutyl)cyclopenta-1,3-diene; zirconium(2+); difluoride CAS Name: 1H-inden-1-id-2-yl(diphenyl)phosphine; 2-pentan-2-ylcyclopenta-1,3-diene; zirconium(2+); difluoride IUPAC Name: 1H-inden-1-id-2-yl(diphenyl)phosphane; 2-pentan-2-ylcyclopenta-1,3-diene; zirconium(2+); difluoride Traditional Name: 1H-inden-1-id-2-yl(diphenyl)phosphine; 2-(1-methylbutyl)cyclopenta-1,3-diene; zirconium(2+); difluoride Formula: C62H62F2P2Zr2-2 MolecularWeight: 1089.548008

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C)C1=[C-]CC=C1.CCCC(C)C1=[C-]CC=C1.[CH-]1C2=CC=CC=C2C=C1P(C3=CC=CC=C3)C4=CC=CC=C4.[CH-]1C2=CC=CC=C2C=C1P(C3=CC=CC=C3)C4=CC=CC=C4.[F-].[F-].[Zr+2].[Zr+2]

Isomeric SMILES

CCCC(C)C1=[C-]CC=C1.CCCC(C)C1=[C-]CC=C1.[CH-]1C2=CC=CC=C2C=C1P(C3=CC=CC=C3)C4=CC=CC=C4.[CH-]1C2=CC=CC=C2C=C1P(C3=CC=CC=C3)C4=CC=CC=C4.[F-].[F-].[Zr+2].[Zr+2]

InChI

InChI=1S/2C21H16P.2C10H15.2FH.2Zr/c2*1-3-11-19(12-4-1)22(20-13-5-2-6-14-20)21-15-17-9-7-8-10-18(17)16-21;2*1-3-6-9(2)10-7-4-5-8-10;;;;/h2*1-16H;2*4,7,9H,3,5-6H2,1-2H3;2*1H;;/q4*-1;;;2*+2/p-2