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

Systemtic Name: methyl-bis(2-methyl-7-quinolin-3-yl-3H-inden-3-id-1-yl)-phenyl-silane; zirconium(4+); dichloride Openeye Name: methyl-bis[2-methyl-7-(3-quinolyl)-3H-inden-3-id-1-yl]-phenyl-silane; zirconium(4+); dichloride CAS Name: methyl-bis[2-methyl-7-(3-quinolinyl)-3H-inden-3-id-1-yl]-phenylsilane; zirconium(4+); dichloride IUPAC Name: methyl-bis(2-methyl-7-quinolin-3-yl-3H-inden-3-id-1-yl)-phenylsilane; zirconium(4+); dichloride Traditional Name: methyl-bis[2-methyl-7-(3-quinolyl)-3H-inden-3-id-1-yl]-phenyl-silane; zirconium(4+); dichloride Formula: C45H34Cl2N2SiZr MolecularWeight: 792.98036

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C([CH-]1)C=CC=C2C3=CC4=CC=CC=C4N=C3)[Si](C)(C5=CC=CC=C5)C6=C([CH-]C7=C6C(=CC=C7)C8=CC9=CC=CC=C9N=C8)C.[Cl-].[Cl-].[Zr+4]

Isomeric SMILES

CC1=C(C2=C([CH-]1)C=CC=C2C3=CC4=CC=CC=C4N=C3)[Si](C)(C5=CC=CC=C5)C6=C([CH-]C7=C6C(=CC=C7)C8=CC9=CC=CC=C9N=C8)C.[Cl-].[Cl-].[Zr+4]

InChI

InChI=1S/C45H34N2Si.2ClH.Zr/c1-29-23-33-15-11-19-38(35-25-31-13-7-9-21-40(31)46-27-35)42(33)44(29)48(3,37-17-5-4-6-18-37)45-30(2)24-34-16-12-20-39(43(34)45)36-26-32-14-8-10-22-41(32)47-28-36;;;/h4-28H,1-3H3;2*1H;/q-2;;;+4/p-2