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

Systemtic Name: 2,3-ditert-butylindol-1-ide; 2-propan-2-ylidene-1H-inden-1-ide; zirconium(4+); dichloride Openeye Name: 2,3-ditert-butylindol-1-ide; 2-isopropylidene-1H-inden-1-ide; zirconium(4+); dichloride CAS Name: 2,3-ditert-butylindol-1-ide; 2-propan-2-ylidene-1H-inden-1-ide; zirconium(4+); dichloride IUPAC Name: 2,3-ditert-butylindol-1-ide; 2-propan-2-ylidene-1H-inden-1-ide; zirconium(4+); dichloride Traditional Name: 2,3-ditert-butylindol-1-ide; 2-isopropylidene-1H-inden-1-ide; zirconium(4+); dichloride Formula: C28H33Cl2NZr MolecularWeight: 545.69832

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Descriptors Computed from Structure

Canonical SMILES:

CC(=C1C=C2C=CC=CC2=[C-]1)C.CC(C)(C)C1=C([N-]C2=CC=CC=C21)C(C)(C)C.[Cl-].[Cl-].[Zr+4]

Isomeric SMILES

CC(=C1C=C2C=CC=CC2=[C-]1)C.CC(C)(C)C1=C([N-]C2=CC=CC=C21)C(C)(C)C.[Cl-].[Cl-].[Zr+4]

InChI

InChI=1S/C16H22N.C12H11.2ClH.Zr/c1-15(2,3)13-11-9-7-8-10-12(11)17-14(13)16(4,5)6;1-9(2)12-7-10-5-3-4-6-11(10)8-12;;;/h7-10H,1-6H3;3-7H,1-2H3;2*1H;/q2*-1;;;+4/p-2