bis(3H-cyclopenta[a]naphthalen-3-id-2-yl)-phenyl-borane; zirconium(4+); dichloride

Systemtic Name: bis(3H-cyclopenta[a]naphthalen-3-id-2-yl)-phenyl-borane; zirconium(4+); dichloride Openeye Name: bis(3H-cyclopenta[a]naphthalen-3-id-2-yl)-phenyl-borane; zirconium(4+); dichloride CAS Name: bis(3H-cyclopenta[a]naphthalen-3-id-2-yl)-phenylborane; zirconium(4+); dichloride IUPAC Name: bis(3H-cyclopenta[a]naphthalen-3-id-2-yl)-phenylborane; zirconium(4+); dichloride Traditional Name: bis(3H-benz[e]inden-3-id-2-yl)-phenyl-borane; zirconium(4+); dichloride Formula: C32H21BCl2Zr MolecularWeight: 578.45014

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Descriptors Computed from Structure

Canonical SMILES:

B(C1=CC2=C([CH-]1)C=CC3=CC=CC=C32)(C4=CC5=C([CH-]4)C=CC6=CC=CC=C65)C7=CC=CC=C7.[Cl-].[Cl-].[Zr+4]

Isomeric SMILES

B(C1=CC2=C([CH-]1)C=CC3=CC=CC=C32)(C4=CC5=C([CH-]4)C=CC6=CC=CC=C65)C7=CC=CC=C7.[Cl-].[Cl-].[Zr+4]

InChI

InChI=1S/C32H21B.2ClH.Zr/c1-2-10-26(11-3-1)33(27-18-24-16-14-22-8-4-6-12-29(22)31(24)20-27)28-19-25-17-15-23-9-5-7-13-30(23)32(25)21-28;;;/h1-21H;2*1H;/q-2;;;+4/p-2