N-[bis(2-methyl-7-phenyl-3H-inden-3-id-1-yl)boranyl]propanamide; zirconium(4+); dichloride

Systemtic Name: N-[bis(2-methyl-7-phenyl-3H-inden-3-id-1-yl)boranyl]propanamide; zirconium(4+); dichloride Openeye Name: N-[bis(2-methyl-7-phenyl-3H-inden-3-id-1-yl)boranyl]propanamide; zirconium(4+); dichloride CAS Name: N-[bis(2-methyl-7-phenyl-3H-inden-3-id-1-yl)boranyl]propanamide; zirconium(4+); dichloride IUPAC Name: N-[bis(2-methyl-7-phenyl-3H-inden-3-id-1-yl)boranyl]propanamide; zirconium(4+); dichloride Traditional Name: N-[bis(2-methyl-7-phenyl-3H-inden-3-id-1-yl)boranyl]propionamide; zirconium(4+); dichloride Formula: C70H60B2Cl2N2O2Zr-2 MolecularWeight: 1144.9896

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Descriptors Computed from Structure

Canonical SMILES:

B(C1=C([CH-]C2=C1C(=CC=C2)C3=CC=CC=C3)C)(C4=C([CH-]C5=C4C(=CC=C5)C6=CC=CC=C6)C)NC(=O)CC.B(C1=C([CH-]C2=C1C(=CC=C2)C3=CC=CC=C3)C)(C4=C([CH-]C5=C4C(=CC=C5)C6=CC=CC=C6)C)NC(=O)CC.[Cl-].[Cl-].[Zr+4]

Isomeric SMILES

B(C1=C([CH-]C2=C1C(=CC=C2)C3=CC=CC=C3)C)(C4=C([CH-]C5=C4C(=CC=C5)C6=CC=CC=C6)C)NC(=O)CC.B(C1=C([CH-]C2=C1C(=CC=C2)C3=CC=CC=C3)C)(C4=C([CH-]C5=C4C(=CC=C5)C6=CC=CC=C6)C)NC(=O)CC.[Cl-].[Cl-].[Zr+4]

InChI

InChI=1S/2C35H30BNO.2ClH.Zr/c2*1-4-31(38)37-36(34-23(2)21-27-17-11-19-29(32(27)34)25-13-7-5-8-14-25)35-24(3)22-28-18-12-20-30(33(28)35)26-15-9-6-10-16-26;;;/h2*5-22H,4H2,1-3H3,(H,37,38);2*1H;/q2*-2;;;+4/p-2