prop-1-ene; tetraphenylboranuide; zirconium(4+)

Systemtic Name: prop-1-ene; tetraphenylboranuide; zirconium(4+) Openeye Name: prop-1-ene; tetraphenylboranuide; zirconium(4+) CAS Name: 1-propene; tetraphenylboranuide; zirconium(4+) IUPAC Name: prop-1-ene; tetraphenylboranuide; zirconium(4+) Traditional Name: prop-1-ene; tetraphenylboranuide; zirconium(4+) Formula: C75H65B3Zr MolecularWeight: 1089.9756

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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.[B-](C1=CC=CC=C1)(C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4.[CH2-]C=C.[Zr+4]

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.[B-](C1=CC=CC=C1)(C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4.[CH2-]C=C.[Zr+4]

InChI

InChI=1S/3C24H20B.C3H5.Zr/c3*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;1-3-2;/h3*1-20H;3H,1-2H2;/q4*-1;+4