bis(propanoylamino)boron; cyclopenta-1,3-diene; zirconium(4+); dichloride

Systemtic Name: bis(propanoylamino)boron; cyclopenta-1,3-diene; zirconium(4+); dichloride Openeye Name: bis(propanoylamino)boron; cyclopenta-1,3-diene; zirconium(4+); dichloride CAS Name: bis(1-oxopropylamino)boron; cyclopenta-1,3-diene; zirconium(4+); dichloride IUPAC Name: bis(propanoylamino)boron; cyclopenta-1,3-diene; zirconium(4+); dichloride Traditional Name: cyclopenta-1,3-diene; dipropionamidoboron; zirconium(4+); dichloride Formula: C16H22BCl2N2O2Zr MolecularWeight: 447.29908

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Descriptors Computed from Structure

Canonical SMILES:

[B](NC(=O)CC)NC(=O)CC.C1C=CC=[C-]1.C1C=CC=[C-]1.[Cl-].[Cl-].[Zr+4]

Isomeric SMILES

[B](NC(=O)CC)NC(=O)CC.C1C=CC=[C-]1.C1C=CC=[C-]1.[Cl-].[Cl-].[Zr+4]

InChI

InChI=1S/C6H12BN2O2.2C5H5.2ClH.Zr/c1-3-5(10)8-7-9-6(11)4-2;2*1-2-4-5-3-1;;;/h3-4H2,1-2H3,(H,8,10)(H,9,11);2*1-3H,4H2;2*1H;/q;2*-1;;;+4/p-2