cyclopentane; (4E)-4-methylundeca-4,7-dien-6-one; oxolane; tetraphenylboranuide; zirconium(2+)

Systemtic Name: cyclopentane; (4E)-4-methylundeca-4,7-dien-6-one; oxolane; tetraphenylboranuide; zirconium(2+) Openeye Name: cyclopentane; (4E)-4-methylundeca-4,7-dien-6-one; tetrahydrofuran; tetraphenylboranuide; zirconium(2+) CAS Name: cyclopentane; (4E)-4-methyl-6-undeca-4,7-dienone; oxolane; tetraphenylboranuide; zirconium(2+) IUPAC Name: cyclopentane; (4E)-4-methylundeca-4,7-dien-6-one; oxolane; tetraphenylboranuide; zirconium(2+) Traditional Name: cyclopentane; (4E)-4-methylundeca-4,7-dien-6-one; tetrahydrofuran; tetraphenylboranuide; zirconium(2+) Formula: C50H57BO2Zr MolecularWeight: 792.02138

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

InChI

InChI=1S/C24H20B.C12H19O.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;1-4-6-7-9-12(13)10-11(3)8-5-2;3*1-2-4-5-3-1;/h1-20H;9-10H,4-6,8H2,1-3H3;2*1-5H;1-4H2;/q2*-1;;;;+2/b;11-10+;;;;