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

Systemtic Name: 1H-inden-1-ide; 2-methylcyclopenta-1,3-diene; 1-phenylethylidenezirconium(2+); dichloride Openeye Name: 1H-inden-1-ide; 2-methylcyclopenta-1,3-diene; 1-phenylethylidenezirconium(2+); dichloride CAS Name: 1H-inden-1-ide; 2-methylcyclopenta-1,3-diene; 1-phenylethylidenezirconium(2+); dichloride IUPAC Name: 1H-inden-1-ide; 2-methylcyclopenta-1,3-diene; 1-phenylethylidenezirconium(2+); dichloride Traditional Name: 1H-inden-1-ide; 2-methylcyclopenta-1,3-diene; 1-phenylethylidenezirconium(2+); dichloride Formula: C46H44Cl2Zr2-2 MolecularWeight: 850.19556

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/2C9H7.2C8H8.2C6H7.2ClH.2Zr/c2*1-2-5-9-7-3-6-8(9)4-1;2*1-2-8-6-4-3-5-7-8;2*1-6-4-2-3-5-6;;;;/h2*1-7H;2*3-7H,1H3;2*4-5H,2H2,1H3;2*1H;;/q2*-1;;;2*-1;;;2*+2/p-2