carbanide; cyclopentane; oxolane; tetraphenylboranuide; zirconium(4+)

Systemtic Name: carbanide; cyclopentane; oxolane; tetraphenylboranuide; zirconium(4+) Openeye Name: carbanide; cyclopentane; tetrahydrofuran; tetraphenylboranuide; zirconium(4+) CAS Name: carbanide; cyclopentane; oxolane; tetraphenylboranuide; zirconium(4+) IUPAC Name: carbanide; cyclopentane; oxolane; tetraphenylboranuide; zirconium(4+) Traditional Name: carbanide; cyclopentane; tetrahydrofuran; tetraphenylboranuide; zirconium(4+) Formula: C39H41BOZr+2 MolecularWeight: 627.77724

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

[B-](C1=CC=CC=C1)(C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4.[CH3-].C1CCOC1.[CH]1[CH][CH][CH][CH]1.[CH]1[CH][CH][CH][CH]1.[Zr+4]

Isomeric SMILES

[B-](C1=CC=CC=C1)(C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4.[CH3-].C1CCOC1.[CH]1[CH][CH][CH][CH]1.[CH]1[CH][CH][CH][CH]1.[Zr+4]

InChI

InChI=1S/C24H20B.2C5H5.C4H8O.CH3.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;3*1-2-4-5-3-1;;/h1-20H;2*1-5H;1-4H2;1H3;/q-1;;;;-1;+4