2-tert-butylindol-1-ide; 2-methylidene-1H-inden-1-ide; zirconium(4+); dichloride

Systemtic Name: 2-tert-butylindol-1-ide; 2-methylidene-1H-inden-1-ide; zirconium(4+); dichloride Openeye Name: 2-tert-butylindol-1-ide; 2-methylene-1H-inden-1-ide; zirconium(4+); dichloride CAS Name: 2-tert-butylindol-1-ide; 2-methylene-1H-inden-1-ide; zirconium(4+); dichloride IUPAC Name: 2-tert-butylindol-1-ide; 2-methylidene-1H-inden-1-ide; zirconium(4+); dichloride Traditional Name: 2-tert-butylindol-1-ide; 2-methylene-1H-inden-1-ide; zirconium(4+); dichloride Formula: C22H21Cl2NZr MolecularWeight: 461.53884

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H14N.C10H7.2ClH.Zr/c1-12(2,3)11-8-9-6-4-5-7-10(9)13-11;1-8-6-9-4-2-3-5-10(9)7-8;;;/h4-8H,1-3H3;2-6H,1H2;2*1H;/q2*-1;;;+4/p-2