cyclopenta-1,3-diene; 1H-inden-1-id-2-yl(diphenyl)phosphane; titanium(2+); difluoride

Systemtic Name: cyclopenta-1,3-diene; 1H-inden-1-id-2-yl(diphenyl)phosphane; titanium(2+); difluoride Openeye Name: cyclopenta-1,3-diene; 1H-inden-1-id-2-yl(diphenyl)phosphane; titanium(2+); difluoride CAS Name: cyclopenta-1,3-diene; 1H-inden-1-id-2-yl(diphenyl)phosphine; titanium(2+); difluoride IUPAC Name: cyclopenta-1,3-diene; 1H-inden-1-id-2-yl(diphenyl)phosphane; titanium(2+); difluoride Traditional Name: cyclopenta-1,3-diene; 1H-inden-1-id-2-yl(diphenyl)phosphine; titanium(2+); difluoride Formula: C52H42F2P2Ti2-2 MolecularWeight: 862.568208

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Descriptors Computed from Structure

Canonical SMILES:

C1C=CC=[C-]1.C1C=CC=[C-]1.[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-].[Ti+2].[Ti+2]

Isomeric SMILES

C1C=CC=[C-]1.C1C=CC=[C-]1.[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-].[Ti+2].[Ti+2]

InChI

InChI=1S/2C21H16P.2C5H5.2FH.2Ti/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*1-2-4-5-3-1;;;;/h2*1-16H;2*1-3H,4H2;2*1H;;/q4*-1;;;2*+2/p-2