cyclopenta-1,3-diene; (diphenylamino)boranylidenezirconium(2+); dichloride

Systemtic Name: cyclopenta-1,3-diene; (diphenylamino)boranylidenezirconium(2+); dichloride Openeye Name: cyclopenta-1,3-diene; (N-phenylanilino)boranylidenezirconium(2+); dichloride CAS Name: cyclopenta-1,3-diene; (N-phenylanilino)boranylidenezirconium(2+); dichloride IUPAC Name: cyclopenta-1,3-diene; (N-phenylanilino)boranylidenezirconium(2+); dichloride Traditional Name: cyclopenta-1,3-diene; (N-phenylanilino)boranylidenezirconium(2+); dichloride Formula: C22H20BCl2NZr-2 MolecularWeight: 471.3419

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Descriptors Computed from Structure

Canonical SMILES:

B(=[Zr+2])N(C1=CC=CC=C1)C2=CC=CC=C2.C1C=CC=[C-]1.C1C=CC=[C-]1.[Cl-].[Cl-]

Isomeric SMILES

B(=[Zr+2])N(C1=CC=CC=C1)C2=CC=CC=C2.C1C=CC=[C-]1.C1C=CC=[C-]1.[Cl-].[Cl-]

InChI

InChI=1S/C12H10BN.2C5H5.2ClH.Zr/c13-14(11-7-3-1-4-8-11)12-9-5-2-6-10-12;2*1-2-4-5-3-1;;;/h1-10H;2*1-3H,4H2;2*1H;/q;2*-1;;;+2/p-2