N-di(cyclopenta-1,4-dien-1-yl)boranyl-N-naphthalen-1-yl-naphthalen-1-amine; zirconium(4+); dichloride

Systemtic Name: N-di(cyclopenta-1,4-dien-1-yl)boranyl-N-naphthalen-1-yl-naphthalen-1-amine; zirconium(4+); dichloride Openeye Name: N-di(cyclopenta-1,4-dien-1-yl)boranyl-N-(1-naphthyl)naphthalen-1-amine; zirconium(4+); dichloride CAS Name: N-[bis(1-cyclopenta-1,4-dienyl)boranyl]-N-(1-naphthalenyl)-1-naphthalenamine; zirconium(4+); dichloride IUPAC Name: N-di(cyclopenta-1,4-dien-1-yl)boranyl-N-naphthalen-1-ylnaphthalen-1-amine; zirconium(4+); dichloride Traditional Name: di(cyclopenta-1,4-dien-1-yl)boranyl-bis(1-naphthyl)amine; zirconium(4+); dichloride Formula: C30H22BCl2NZr MolecularWeight: 569.44338

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Descriptors Computed from Structure

Canonical SMILES:

B(C1=[C-]CC=C1)(C2=[C-]CC=C2)N(C3=CC=CC4=CC=CC=C43)C5=CC=CC6=CC=CC=C65.[Cl-].[Cl-].[Zr+4]

Isomeric SMILES

B(C1=[C-]CC=C1)(C2=[C-]CC=C2)N(C3=CC=CC4=CC=CC=C43)C5=CC=CC6=CC=CC=C65.[Cl-].[Cl-].[Zr+4]

InChI

InChI=1S/C30H22BN.2ClH.Zr/c1-7-19-27-23(11-1)13-9-21-29(27)32(30-22-10-14-24-12-2-8-20-28(24)30)31(25-15-3-4-16-25)26-17-5-6-18-26;;;/h1-3,5,7-15,17,19-22H,4,6H2;2*1H;/q-2;;;+4/p-2