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

Systemtic Name: methyl-bis(2-methyl-3-naphthalen-1-yl-1H-inden-1-id-4-yl)-phenyl-germane; zirconium(4+); dichloride Openeye Name: methyl-bis[2-methyl-3-(1-naphthyl)-1H-inden-1-id-4-yl]-phenyl-germane; zirconium(4+); dichloride CAS Name: methyl-bis[2-methyl-3-(1-naphthalenyl)-1H-inden-1-id-4-yl]-phenylgermane; zirconium(4+); dichloride IUPAC Name: methyl-bis(2-methyl-3-naphthalen-1-yl-1H-inden-1-id-4-yl)-phenylgermane; zirconium(4+); dichloride Traditional Name: methyl-bis[2-methyl-3-(1-naphthyl)-1H-inden-1-id-4-yl]-phenyl-germane; zirconium(4+); dichloride Formula: C47H36Cl2GeZr MolecularWeight: 835.55874

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C([CH-]1)C=CC=C2[Ge](C)(C3=CC=CC=C3)C4=CC=CC5=C4C(=C([CH-]5)C)C6=CC=CC7=CC=CC=C76)C8=CC=CC9=CC=CC=C98.[Cl-].[Cl-].[Zr+4]

Isomeric SMILES

CC1=C(C2=C([CH-]1)C=CC=C2[Ge](C)(C3=CC=CC=C3)C4=CC=CC5=C4C(=C([CH-]5)C)C6=CC=CC7=CC=CC=C76)C8=CC=CC9=CC=CC=C98.[Cl-].[Cl-].[Zr+4]

InChI

InChI=1S/C47H36Ge.2ClH.Zr/c1-31-29-35-19-13-27-42(46(35)44(31)40-25-11-17-33-15-7-9-23-38(33)40)48(3,37-21-5-4-6-22-37)43-28-14-20-36-30-32(2)45(47(36)43)41-26-12-18-34-16-8-10-24-39(34)41;;;/h4-30H,1-3H3;2*1H;/q-2;;;+4/p-2