cyclopentane; (E)-3-methylhex-2-en-1-one; oxolane; tetraphenylboranuide; zirconium(2+)

Systemtic Name: cyclopentane; (E)-3-methylhex-2-en-1-one; oxolane; tetraphenylboranuide; zirconium(2+) Openeye Name: cyclopentane; (E)-3-methylhex-2-en-1-one; tetrahydrofuran; tetraphenylboranuide; zirconium(2+) CAS Name: cyclopentane; (E)-3-methyl-2-hexen-1-one; oxolane; tetraphenylboranuide; zirconium(2+) IUPAC Name: cyclopentane; (E)-3-methylhex-2-en-1-one; oxolane; tetraphenylboranuide; zirconium(2+) Traditional Name: cyclopentane; (E)-3-methylhex-2-en-1-one; tetrahydrofuran; tetraphenylboranuide; zirconium(2+) Formula: C45H49BO2Zr MolecularWeight: 723.90436

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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.CCCC(=C[C-]=O)C.C1CCOC1.[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(=C/[C-]=O)/C.C1CCOC1.[CH]1[CH][CH][CH][CH]1.[CH]1[CH][CH][CH][CH]1.[Zr+2]

InChI

InChI=1S/C24H20B.C7H11O.2C5H5.C4H8O.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;1-3-4-7(2)5-6-8;3*1-2-4-5-3-1;/h1-20H;5H,3-4H2,1-2H3;2*1-5H;1-4H2;/q2*-1;;;;+2/b;7-5+;;;;