1,9-dihydrofluoren-1-ide; (diphenylamino)boranylidenezirconium(2+); dichloride

Systemtic Name: 1,9-dihydrofluoren-1-ide; (diphenylamino)boranylidenezirconium(2+); dichloride Openeye Name: 1,9-dihydrofluoren-1-ide; (N-phenylanilino)boranylidenezirconium(2+); dichloride CAS Name: 1,9-dihydrofluoren-1-ide; (N-phenylanilino)boranylidenezirconium(2+); dichloride IUPAC Name: 1,9-dihydrofluoren-1-ide; (N-phenylanilino)boranylidenezirconium(2+); dichloride Traditional Name: 1,9-dihydrofluoren-1-ide; (N-phenylanilino)boranylidenezirconium(2+); dichloride Formula: C38H28BCl2NZr-2 MolecularWeight: 671.57662

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Descriptors Computed from Structure

Canonical SMILES:

B(=[Zr+2])N(C1=CC=CC=C1)C2=CC=CC=C2.C1C2=CC=CC=C2C3=C1[C-]=CC=C3.C1C2=CC=CC=C2C3=C1[C-]=CC=C3.[Cl-].[Cl-]

Isomeric SMILES

B(=[Zr+2])N(C1=CC=CC=C1)C2=CC=CC=C2.C1C2=CC=CC=C2C3=C1[C-]=CC=C3.C1C2=CC=CC=C2C3=C1[C-]=CC=C3.[Cl-].[Cl-]

InChI

InChI=1S/2C13H9.C12H10BN.2ClH.Zr/c2*1-3-7-12-10(5-1)9-11-6-2-4-8-13(11)12;13-14(11-7-3-1-4-8-11)12-9-5-2-6-10-12;;;/h2*1-5,7-8H,9H2;1-10H;2*1H;/q2*-1;;;;+2/p-2