dimethyl-bis(2-methyl-7-phenanthren-9-yl-3H-inden-3-id-1-yl)silane; zirconium(4+); dichloride

Systemtic Name: dimethyl-bis(2-methyl-7-phenanthren-9-yl-3H-inden-3-id-1-yl)silane; zirconium(4+); dichloride Openeye Name: dimethyl-bis[2-methyl-7-(9-phenanthryl)-3H-inden-3-id-1-yl]silane; zirconium(4+); dichloride CAS Name: dimethyl-bis[2-methyl-7-(9-phenanthrenyl)-3H-inden-3-id-1-yl]silane; zirconium(4+); dichloride IUPAC Name: dimethyl-bis(2-methyl-7-phenanthren-9-yl-3H-inden-3-id-1-yl)silane; zirconium(4+); dichloride Traditional Name: dimethyl-bis[2-methyl-7-(9-phenanthryl)-3H-inden-3-id-1-yl]silane; zirconium(4+); dichloride Formula: C50H38Cl2SiZr MolecularWeight: 829.05222

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C([CH-]1)C=CC=C2C3=CC4=CC=CC=C4C5=CC=CC=C53)[Si](C)(C)C6=C([CH-]C7=C6C(=CC=C7)C8=CC9=CC=CC=C9C1=CC=CC=C18)C.[Cl-].[Cl-].[Zr+4]

Isomeric SMILES

CC1=C(C2=C([CH-]1)C=CC=C2C3=CC4=CC=CC=C4C5=CC=CC=C53)[Si](C)(C)C6=C([CH-]C7=C6C(=CC=C7)C8=CC9=CC=CC=C9C1=CC=CC=C18)C.[Cl-].[Cl-].[Zr+4]

InChI

InChI=1S/C50H38Si.2ClH.Zr/c1-31-27-35-17-13-25-43(45-29-33-15-5-7-19-37(33)39-21-9-11-23-41(39)45)47(35)49(31)51(3,4)50-32(2)28-36-18-14-26-44(48(36)50)46-30-34-16-6-8-20-38(34)40-22-10-12-24-42(40)46;;;/h5-30H,1-4H3;2*1H;/q-2;;;+4/p-2