1H-inden-1-ide; 2-methylcyclopenta-1,3-diene; zirconium(2+); dichloride

Systemtic Name: 1H-inden-1-ide; 2-methylcyclopenta-1,3-diene; zirconium(2+); dichloride Openeye Name: 1H-inden-1-ide; 2-methylcyclopenta-1,3-diene; zirconium(2+); dichloride CAS Name: 1H-inden-1-ide; 2-methylcyclopenta-1,3-diene; zirconium(2+); dichloride IUPAC Name: 1H-inden-1-ide; 2-methylcyclopenta-1,3-diene; zirconium(2+); dichloride Traditional Name: 1H-inden-1-ide; 2-methylcyclopenta-1,3-diene; zirconium(2+); dichloride Formula: C30H28Cl2Zr2-2 MolecularWeight: 641.89732

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=[C-]CC=C1.CC1=[C-]CC=C1.[CH-]1C=CC2=CC=CC=C21.[CH-]1C=CC2=CC=CC=C21.[Cl-].[Cl-].[Zr+2].[Zr+2]

Isomeric SMILES

CC1=[C-]CC=C1.CC1=[C-]CC=C1.[CH-]1C=CC2=CC=CC=C21.[CH-]1C=CC2=CC=CC=C21.[Cl-].[Cl-].[Zr+2].[Zr+2]

InChI

InChI=1S/2C9H7.2C6H7.2ClH.2Zr/c2*1-2-5-9-7-3-6-8(9)4-1;2*1-6-4-2-3-5-6;;;;/h2*1-7H;2*2,4H,3H2,1H3;2*1H;;/q4*-1;;;2*+2/p-2