carbanide; 9-(2-methyl-1H-inden-1-id-4-yl)phenanthrene; silicon; zirconium(4+); dichloride

Systemtic Name: carbanide; 9-(2-methyl-1H-inden-1-id-4-yl)phenanthrene; silicon; zirconium(4+); dichloride Openeye Name: carbanide; 9-(2-methyl-1H-inden-1-id-4-yl)phenanthrene; silicon; zirconium(4+); dichloride CAS Name: carbanide; 9-(2-methyl-1H-inden-1-id-4-yl)phenanthrene; silicon; zirconium(4+); dichloride IUPAC Name: carbanide; 9-(2-methyl-1H-inden-1-id-4-yl)phenanthrene; silicon; zirconium(4+); dichloride Traditional Name: carbanide; 9-(2-methyl-1H-inden-1-id-4-yl)phenanthrene; silicon; zirconium(4+); dichloride Formula: C50H40Cl2SiZr-2 MolecularWeight: 831.0681

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Descriptors Computed from Structure

Canonical SMILES:

[CH3-].[CH3-].CC1=CC2=C([CH-]1)C=CC=C2C3=CC4=CC=CC=C4C5=CC=CC=C53.CC1=CC2=C([CH-]1)C=CC=C2C3=CC4=CC=CC=C4C5=CC=CC=C53.[Si].[Cl-].[Cl-].[Zr+4]

Isomeric SMILES

[CH3-].[CH3-].CC1=CC2=C([CH-]1)C=CC=C2C3=CC4=CC=CC=C4C5=CC=CC=C53.CC1=CC2=C([CH-]1)C=CC=C2C3=CC4=CC=CC=C4C5=CC=CC=C53.[Si].[Cl-].[Cl-].[Zr+4]

InChI

InChI=1S/2C24H17.2CH3.2ClH.Si.Zr/c2*1-16-13-17-8-6-12-22(23(17)14-16)24-15-18-7-2-3-9-19(18)20-10-4-5-11-21(20)24;;;;;;/h2*2-15H,1H3;2*1H3;2*1H;;/q4*-1;;;;+4/p-2