4,5,6,7-tetramethyl-2-phenyl-1H-inden-1-ide; zirconium(2+); dichloride

Systemtic Name: 4,5,6,7-tetramethyl-2-phenyl-1H-inden-1-ide; zirconium(2+); dichloride Openeye Name: 4,5,6,7-tetramethyl-2-phenyl-1H-inden-1-ide; zirconium(2+); dichloride CAS Name: 4,5,6,7-tetramethyl-2-phenyl-1H-inden-1-ide; zirconium(2+); dichloride IUPAC Name: 4,5,6,7-tetramethyl-2-phenyl-1H-inden-1-ide; zirconium(2+); dichloride Traditional Name: 4,5,6,7-tetramethyl-2-phenyl-1H-inden-1-ide; zirconium(2+); dichloride Formula: C76H76Cl2Zr2-2 MolecularWeight: 1242.77064

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(C=C([CH-]2)C3=CC=CC=C3)C(=C1C)C)C.CC1=C(C2=C(C=C([CH-]2)C3=CC=CC=C3)C(=C1C)C)C.CC1=C(C2=C(C=C([CH-]2)C3=CC=CC=C3)C(=C1C)C)C.CC1=C(C2=C(C=C([CH-]2)C3=CC=CC=C3)C(=C1C)C)C.[Cl-].[Cl-].[Zr+2].[Zr+2]

Isomeric SMILES

CC1=C(C2=C(C=C([CH-]2)C3=CC=CC=C3)C(=C1C)C)C.CC1=C(C2=C(C=C([CH-]2)C3=CC=CC=C3)C(=C1C)C)C.CC1=C(C2=C(C=C([CH-]2)C3=CC=CC=C3)C(=C1C)C)C.CC1=C(C2=C(C=C([CH-]2)C3=CC=CC=C3)C(=C1C)C)C.[Cl-].[Cl-].[Zr+2].[Zr+2]

InChI

InChI=1S/4C19H19.2ClH.2Zr/c4*1-12-13(2)15(4)19-11-17(10-18(19)14(12)3)16-8-6-5-7-9-16;;;;/h4*5-11H,1-4H3;2*1H;;/q4*-1;;;2*+2/p-2