cyclopentane; 2,3-dimethyl-5-pent-1-enyl-pyrazine; tetraphenylboranuide; zirconium(2+)

Systemtic Name: cyclopentane; 2,3-dimethyl-5-pent-1-enyl-pyrazine; tetraphenylboranuide; zirconium(2+) Openeye Name: cyclopentane; 2,3-dimethyl-5-pent-1-enyl-pyrazine; tetraphenylboranuide; zirconium(2+) CAS Name: cyclopentane; 2,3-dimethyl-5-pent-1-enylpyrazine; tetraphenylboranuide; zirconium(2+) IUPAC Name: cyclopentane; 2,3-dimethyl-5-pent-1-enylpyrazine; tetraphenylboranuide; zirconium(2+) Traditional Name: cyclopentane; 2,3-dimethyl-5-pent-1-enyl-pyrazine; tetraphenylboranuide; zirconium(2+) Formula: C45H45BN2Zr MolecularWeight: 715.8872

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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.CCC[C-]=CC1=CN=C(C(=N1)C)C.[CH]1[CH][CH][CH][CH]1.[CH]1[CH][CH][CH][CH]1.[Zr+2]

Isomeric SMILES

[B-](C1=CC=CC=C1)(C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4.CCC[C-]=CC1=CN=C(C(=N1)C)C.[CH]1[CH][CH][CH][CH]1.[CH]1[CH][CH][CH][CH]1.[Zr+2]

InChI

InChI=1S/C24H20B.C11H15N2.2C5H5.Zr/c1-5-13-21(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;1-4-5-6-7-11-8-12-9(2)10(3)13-11;2*1-2-4-5-3-1;/h1-20H;7-8H,4-5H2,1-3H3;2*1-5H;/q2*-1;;;+2