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

Systemtic Name: bis(2-ethyl-3-naphthalen-1-yl-1H-inden-1-id-4-yl)-methyl-phenyl-silane; zirconium(4+); dichloride Openeye Name: bis[2-ethyl-3-(1-naphthyl)-1H-inden-1-id-4-yl]-methyl-phenyl-silane; zirconium(4+); dichloride CAS Name: bis[2-ethyl-3-(1-naphthalenyl)-1H-inden-1-id-4-yl]-methyl-phenylsilane; zirconium(4+); dichloride IUPAC Name: bis(2-ethyl-3-naphthalen-1-yl-1H-inden-1-id-4-yl)-methyl-phenylsilane; zirconium(4+); dichloride Traditional Name: bis[2-ethyl-3-(1-naphthyl)-1H-inden-1-id-4-yl]-methyl-phenyl-silane; zirconium(4+); dichloride Formula: C49H40Cl2SiZr MolecularWeight: 819.0574

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C2=C([CH-]1)C=CC=C2[Si](C)(C3=CC=CC=C3)C4=CC=CC5=C4C(=C([CH-]5)CC)C6=CC=CC7=CC=CC=C76)C8=CC=CC9=CC=CC=C98.[Cl-].[Cl-].[Zr+4]

Isomeric SMILES

CCC1=C(C2=C([CH-]1)C=CC=C2[Si](C)(C3=CC=CC=C3)C4=CC=CC5=C4C(=C([CH-]5)CC)C6=CC=CC7=CC=CC=C76)C8=CC=CC9=CC=CC=C98.[Cl-].[Cl-].[Zr+4]

InChI

InChI=1S/C49H40Si.2ClH.Zr/c1-4-33-31-37-21-15-29-44(48(37)46(33)42-27-13-19-35-17-9-11-25-40(35)42)50(3,39-23-7-6-8-24-39)45-30-16-22-38-32-34(5-2)47(49(38)45)43-28-14-20-36-18-10-12-26-41(36)43;;;/h6-32H,4-5H2,1-3H3;2*1H;/q-2;;;+4/p-2