N-tert-butylmethanimine; cyclopentane; prop-1-yne; tetraphenylboranuide; zirconium(3+); zirconium(4+)

Systemtic Name: N-tert-butylmethanimine; cyclopentane; prop-1-yne; tetraphenylboranuide; zirconium(3+); zirconium(4+) Openeye Name: N-tert-butylmethanimine; cyclopentane; prop-1-yne; tetraphenylboranuide; zirconium(3+); zirconium(4+) CAS Name: N-tert-butylmethanimine; cyclopentane; 1-propyne; tetraphenylboranuide; zirconium(3+); zirconium(4+) IUPAC Name: N-tert-butylmethanimine; cyclopentane; prop-1-yne; tetraphenylboranuide; zirconium(3+); zirconium(4+) Traditional Name: tert-butyl(methanidylidene)amine; cyclopentane; prop-1-yne; tetraphenylboranuide; zirconium(3+); zirconium(4+) Formula: C52H53BNZr2+4 MolecularWeight: 885.24292

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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.CC#[C-].CC(C)(C)N=[CH-].[CH]1[CH][CH][CH][CH]1.[CH]1[CH][CH][CH][CH]1.[CH]1[CH][CH][CH][CH]1.[CH]1[CH][CH][CH][CH]1.[Zr+3].[Zr+4]

Isomeric SMILES

[B-](C1=CC=CC=C1)(C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4.CC#[C-].CC(C)(C)N=[CH-].[CH]1[CH][CH][CH][CH]1.[CH]1[CH][CH][CH][CH]1.[CH]1[CH][CH][CH][CH]1.[CH]1[CH][CH][CH][CH]1.[Zr+3].[Zr+4]

InChI

InChI=1S/C24H20B.C5H10N.4C5H5.C3H3.2Zr/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;1-5(2,3)6-4;4*1-2-4-5-3-1;1-3-2;;/h1-20H;4H,1-3H3;4*1-5H;1H3;;/q2*-1;;;;;-1;+3;+4