2-methylcyclopenta-1,3-diene; 3-methyl-1H-inden-1-ide; propan-2-ylidenezirconium(2+); dichloride

Systemtic Name: 2-methylcyclopenta-1,3-diene; 3-methyl-1H-inden-1-ide; propan-2-ylidenezirconium(2+); dichloride Openeye Name: isopropylidenezirconium(2+); 2-methylcyclopenta-1,3-diene; 3-methyl-1H-inden-1-ide; dichloride CAS Name: 2-methylcyclopenta-1,3-diene; 3-methyl-1H-inden-1-ide; propan-2-ylidenezirconium(2+); dichloride IUPAC Name: 2-methylcyclopenta-1,3-diene; 3-methyl-1H-inden-1-ide; propan-2-ylidenezirconium(2+); dichloride Traditional Name: isopropylidenezirconium(2+); 2-methylcyclopenta-1,3-diene; 3-methyl-1H-inden-1-ide; dichloride Formula: C38H44Cl2Zr2-2 MolecularWeight: 754.10996

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C[CH-]C2=CC=CC=C12.CC1=C[CH-]C2=CC=CC=C12.CC1=[C-]CC=C1.CC1=[C-]CC=C1.CC(=[Zr+2])C.CC(=[Zr+2])C.[Cl-].[Cl-]

Isomeric SMILES

CC1=C[CH-]C2=CC=CC=C12.CC1=C[CH-]C2=CC=CC=C12.CC1=[C-]CC=C1.CC1=[C-]CC=C1.CC(=[Zr+2])C.CC(=[Zr+2])C.[Cl-].[Cl-]

InChI

InChI=1S/2C10H9.2C6H7.2C3H6.2ClH.2Zr/c2*1-8-6-7-9-4-2-3-5-10(8)9;2*1-6-4-2-3-5-6;2*1-3-2;;;;/h2*2-7H,1H3;2*2,4H,3H2,1H3;2*1-2H3;2*1H;;/q4*-1;;;;;2*+2/p-2