cyclopenta-1,3-diene; tetraphenylboranuide; zirconium(2+)

Systemtic Name: cyclopenta-1,3-diene; tetraphenylboranuide; zirconium(2+) Openeye Name: cyclopenta-1,3-diene; tetraphenylboranuide; zirconium(2+) CAS Name: cyclopenta-1,3-diene; tetraphenylboranuide; zirconium(2+) IUPAC Name: cyclopenta-1,3-diene; tetraphenylboranuide; zirconium(2+) Traditional Name: cyclopenta-1,3-diene; tetraphenylboranuide; zirconium(2+) Formula: C68H60B2Zr2-2 MolecularWeight: 1081.274

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Descriptors Computed from Structure

Canonical SMILES:

[B-](C1=CC=CC=C1)(C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4.[B-](C1=CC=CC=C1)(C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4.C1C=CC=[C-]1.C1C=CC=[C-]1.C1C=CC=[C-]1.C1C=CC=[C-]1.[Zr+2].[Zr+2]

Isomeric SMILES

[B-](C1=CC=CC=C1)(C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4.[B-](C1=CC=CC=C1)(C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4.C1C=CC=[C-]1.C1C=CC=[C-]1.C1C=CC=[C-]1.C1C=CC=[C-]1.[Zr+2].[Zr+2]

InChI

InChI=1S/2C24H20B.4C5H5.2Zr/c2*1-5-13-21(14-6-1)25(22-15-7-2-8-16-22,23-17-9-3-10-18-23)24-19-11-4-12-20-24;4*1-2-4-5-3-1;;/h2*1-20H;4*1-3H,4H2;;/q6*-1;2*+2