2,3-dimethylindol-1-ide; 2-propan-2-ylidene-1H-inden-1-ide; zirconium(4+); dichloride

Systemtic Name: 2,3-dimethylindol-1-ide; 2-propan-2-ylidene-1H-inden-1-ide; zirconium(4+); dichloride Openeye Name: 2,3-dimethylindol-1-ide; 2-isopropylidene-1H-inden-1-ide; zirconium(4+); dichloride CAS Name: 2,3-dimethylindol-1-ide; 2-propan-2-ylidene-1H-inden-1-ide; zirconium(4+); dichloride IUPAC Name: 2,3-dimethylindol-1-ide; 2-propan-2-ylidene-1H-inden-1-ide; zirconium(4+); dichloride Traditional Name: 2,3-dimethylindol-1-ide; 2-isopropylidene-1H-inden-1-ide; zirconium(4+); dichloride Formula: C22H21Cl2NZr MolecularWeight: 461.53884

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C([N-]C2=CC=CC=C12)C.CC(=C1C=C2C=CC=CC2=[C-]1)C.[Cl-].[Cl-].[Zr+4]

Isomeric SMILES

CC1=C([N-]C2=CC=CC=C12)C.CC(=C1C=C2C=CC=CC2=[C-]1)C.[Cl-].[Cl-].[Zr+4]

InChI

InChI=1S/C12H11.C10H10N.2ClH.Zr/c1-9(2)12-7-10-5-3-4-6-11(10)8-12;1-7-8(2)11-10-6-4-3-5-9(7)10;;;/h3-7H,1-2H3;3-6H,1-2H3;2*1H;/q2*-1;;;+4/p-2