2-methyl-4-phenyl-1H-inden-1-ide; phenylazanide; zirconium(3+); dichloride

Systemtic Name: 2-methyl-4-phenyl-1H-inden-1-ide; phenylazanide; zirconium(3+); dichloride Openeye Name: 2-methyl-4-phenyl-1H-inden-1-ide; phenylazanide; zirconium(3+); dichloride CAS Name: 2-methyl-4-phenyl-1H-inden-1-ide; phenylazanide; zirconium(3+); dichloride IUPAC Name: 2-methyl-4-phenyl-1H-inden-1-ide; phenylazanide; zirconium(3+); dichloride Traditional Name: 2-methyl-4-phenyl-1H-inden-1-ide; phenylazanide; zirconium(3+); dichloride Formula: C38H32Cl2NZr-2 MolecularWeight: 664.79738

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C([CH-]1)C=CC=C2C3=CC=CC=C3.CC1=CC2=C([CH-]1)C=CC=C2C3=CC=CC=C3.C1=CC=C(C=C1)[NH-].[Cl-].[Cl-].[Zr+3]

Isomeric SMILES

CC1=CC2=C([CH-]1)C=CC=C2C3=CC=CC=C3.CC1=CC2=C([CH-]1)C=CC=C2C3=CC=CC=C3.C1=CC=C(C=C1)[NH-].[Cl-].[Cl-].[Zr+3]

InChI

InChI=1S/2C16H13.C6H6N.2ClH.Zr/c2*1-12-10-14-8-5-9-15(16(14)11-12)13-6-3-2-4-7-13;7-6-4-2-1-3-5-6;;;/h2*2-11H,1H3;1-5,7H;2*1H;/q3*-1;;;+3/p-2