bis(2-methyl-7-phenyl-3H-inden-3-id-1-yl)-phenyl-borane; zirconium(4+); dichloride

Systemtic Name: bis(2-methyl-7-phenyl-3H-inden-3-id-1-yl)-phenyl-borane; zirconium(4+); dichloride Openeye Name: bis(2-methyl-7-phenyl-3H-inden-3-id-1-yl)-phenyl-borane; zirconium(4+); dichloride CAS Name: bis(2-methyl-7-phenyl-3H-inden-3-id-1-yl)-phenylborane; zirconium(4+); dichloride IUPAC Name: bis(2-methyl-7-phenyl-3H-inden-3-id-1-yl)-phenylborane; zirconium(4+); dichloride Traditional Name: bis(2-methyl-7-phenyl-3H-inden-3-id-1-yl)-phenyl-borane; zirconium(4+); dichloride Formula: C38H29BCl2Zr MolecularWeight: 658.57786

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Descriptors Computed from Structure

Canonical SMILES:

B(C1=CC=CC=C1)(C2=C([CH-]C3=C2C(=CC=C3)C4=CC=CC=C4)C)C5=C([CH-]C6=C5C(=CC=C6)C7=CC=CC=C7)C.[Cl-].[Cl-].[Zr+4]

Isomeric SMILES

B(C1=CC=CC=C1)(C2=C([CH-]C3=C2C(=CC=C3)C4=CC=CC=C4)C)C5=C([CH-]C6=C5C(=CC=C6)C7=CC=CC=C7)C.[Cl-].[Cl-].[Zr+4]

InChI

InChI=1S/C38H29B.2ClH.Zr/c1-26-24-30-18-12-22-33(28-14-6-3-7-15-28)35(30)37(26)39(32-20-10-5-11-21-32)38-27(2)25-31-19-13-23-34(36(31)38)29-16-8-4-9-17-29;;;/h3-25H,1-2H3;2*1H;/q-2;;;+4/p-2