bis(2-methyl-3-naphthalen-1-yl-1H-inden-1-id-4-yl)-phenyl-borane; zirconium(4+); dichloride

Systemtic Name: bis(2-methyl-3-naphthalen-1-yl-1H-inden-1-id-4-yl)-phenyl-borane; zirconium(4+); dichloride Openeye Name: bis[2-methyl-3-(1-naphthyl)-1H-inden-1-id-4-yl]-phenyl-borane; zirconium(4+); dichloride CAS Name: bis[2-methyl-3-(1-naphthalenyl)-1H-inden-1-id-4-yl]-phenylborane; zirconium(4+); dichloride IUPAC Name: bis(2-methyl-3-naphthalen-1-yl-1H-inden-1-id-4-yl)-phenylborane; zirconium(4+); dichloride Traditional Name: bis[2-methyl-3-(1-naphthyl)-1H-inden-1-id-4-yl]-phenyl-borane; zirconium(4+); dichloride Formula: C46H33BCl2Zr MolecularWeight: 758.69522

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Descriptors Computed from Structure

Canonical SMILES:

B(C1=CC=CC=C1)(C2=C3C(=CC=C2)[CH-]C(=C3C4=CC=CC5=CC=CC=C54)C)C6=C7C(=CC=C6)[CH-]C(=C7C8=CC=CC9=CC=CC=C98)C.[Cl-].[Cl-].[Zr+4]

Isomeric SMILES

B(C1=CC=CC=C1)(C2=C3C(=CC=C2)[CH-]C(=C3C4=CC=CC5=CC=CC=C54)C)C6=C7C(=CC=C6)[CH-]C(=C7C8=CC=CC9=CC=CC=C98)C.[Cl-].[Cl-].[Zr+4]

InChI

InChI=1S/C46H33B.2ClH.Zr/c1-30-28-34-18-12-26-41(45(34)43(30)39-24-10-16-32-14-6-8-22-37(32)39)47(36-20-4-3-5-21-36)42-27-13-19-35-29-31(2)44(46(35)42)40-25-11-17-33-15-7-9-23-38(33)40;;;/h3-29H,1-2H3;2*1H;/q-2;;;+4/p-2