bis(2-ethyl-7-phenyl-3H-inden-3-id-1-yl)-diphenyl-silane; zirconium(4+); dichloride

Systemtic Name: bis(2-ethyl-7-phenyl-3H-inden-3-id-1-yl)-diphenyl-silane; zirconium(4+); dichloride Openeye Name: bis(2-ethyl-7-phenyl-3H-inden-3-id-1-yl)-diphenyl-silane; zirconium(4+); dichloride CAS Name: bis(2-ethyl-7-phenyl-3H-inden-3-id-1-yl)-diphenylsilane; zirconium(4+); dichloride IUPAC Name: bis(2-ethyl-7-phenyl-3H-inden-3-id-1-yl)-diphenylsilane; zirconium(4+); dichloride Traditional Name: bis(2-ethyl-7-phenyl-3H-inden-3-id-1-yl)-diphenyl-silane; zirconium(4+); dichloride Formula: C46H38Cl2SiZr MolecularWeight: 781.00942

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C2=C([CH-]1)C=CC=C2C3=CC=CC=C3)[Si](C4=CC=CC=C4)(C5=CC=CC=C5)C6=C([CH-]C7=C6C(=CC=C7)C8=CC=CC=C8)CC.[Cl-].[Cl-].[Zr+4]

Isomeric SMILES

CCC1=C(C2=C([CH-]1)C=CC=C2C3=CC=CC=C3)[Si](C4=CC=CC=C4)(C5=CC=CC=C5)C6=C([CH-]C7=C6C(=CC=C7)C8=CC=CC=C8)CC.[Cl-].[Cl-].[Zr+4]

InChI

InChI=1S/C46H38Si.2ClH.Zr/c1-3-33-31-37-23-17-29-41(35-19-9-5-10-20-35)43(37)45(33)47(39-25-13-7-14-26-39,40-27-15-8-16-28-40)46-34(4-2)32-38-24-18-30-42(44(38)46)36-21-11-6-12-22-36;;;/h5-32H,3-4H2,1-2H3;2*1H;/q-2;;;+4/p-2