methanidylbenzene; 2-(trifluoromethyl)cyclopenta-1,3-diene; zirconium(4+)

Systemtic Name: methanidylbenzene; 2-(trifluoromethyl)cyclopenta-1,3-diene; zirconium(4+) Openeye Name: methanidylbenzene; 2-(trifluoromethyl)cyclopenta-1,3-diene; zirconium(4+) CAS Name: methanidylbenzene; 2-(trifluoromethyl)cyclopenta-1,3-diene; zirconium(4+) IUPAC Name: methanidylbenzene; 2-(trifluoromethyl)cyclopenta-1,3-diene; zirconium(4+) Traditional Name: methanidylbenzene; 2-(trifluoromethyl)cyclopenta-1,3-diene; zirconium(4+) Formula: C27H25F3Zr MolecularWeight: 497.70661

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Descriptors Computed from Structure

Canonical SMILES:

[CH2-]C1=CC=CC=C1.[CH2-]C1=CC=CC=C1.[CH2-]C1=CC=CC=C1.C1C=CC(=[C-]1)C(F)(F)F.[Zr+4]

Isomeric SMILES

[CH2-]C1=CC=CC=C1.[CH2-]C1=CC=CC=C1.[CH2-]C1=CC=CC=C1.C1C=CC(=[C-]1)C(F)(F)F.[Zr+4]

InChI

InChI=1S/3C7H7.C6H4F3.Zr/c3*1-7-5-3-2-4-6-7;7-6(8,9)5-3-1-2-4-5;/h3*2-6H,1H2;1,3H,2H2;/q4*-1;+4