cyclopentane; 2-methylpropan-2-ol; oxolane; tetraphenylboranuide; zirconium(3+)

Systemtic Name: cyclopentane; 2-methylpropan-2-ol; oxolane; tetraphenylboranuide; zirconium(3+) Openeye Name: cyclopentane; 2-methylpropan-2-ol; tetrahydrofuran; tetraphenylboranuide; zirconium(3+) CAS Name: cyclopentane; 2-methyl-2-propanol; oxolane; tetraphenylboranuide; zirconium(3+) IUPAC Name: cyclopentane; 2-methylpropan-2-ol; oxolane; tetraphenylboranuide; zirconium(3+) Traditional Name: cyclopentane; 2-methylpropan-2-ol; tetrahydrofuran; tetraphenylboranuide; zirconium(3+) Formula: C42H48BO2Zr+2 MolecularWeight: 686.86432

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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)(C)O.C1CCOC1.[CH]1[CH][CH][CH][CH]1.[CH]1[CH][CH][CH][CH]1.[Zr+3]

Isomeric SMILES

[B-](C1=CC=CC=C1)(C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4.CC(C)(C)O.C1CCOC1.[CH]1[CH][CH][CH][CH]1.[CH]1[CH][CH][CH][CH]1.[Zr+3]

InChI

InChI=1S/C24H20B.2C5H5.C4H8O.C4H10O.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;1-4(2,3)5;/h1-20H;2*1-5H;1-4H2;5H,1-3H3;/q-1;;;;;+3