1-(2-methyl-1H-inden-1-id-4-yl)naphthalene; propan-2-ylidenezirconium(2+); dichloride

Systemtic Name: 1-(2-methyl-1H-inden-1-id-4-yl)naphthalene; propan-2-ylidenezirconium(2+); dichloride Openeye Name: isopropylidenezirconium(2+); 1-(2-methyl-1H-inden-1-id-4-yl)naphthalene; dichloride CAS Name: 1-(2-methyl-1H-inden-1-id-4-yl)naphthalene; propan-2-ylidenezirconium(2+); dichloride IUPAC Name: 1-(2-methyl-1H-inden-1-id-4-yl)naphthalene; propan-2-ylidenezirconium(2+); dichloride Traditional Name: isopropylidenezirconium(2+); 1-(2-methyl-1H-inden-1-id-4-yl)naphthalene; dichloride Formula: C86H72Cl2Zr2-2 MolecularWeight: 1358.84588

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C([CH-]1)C=CC=C2C3=CC=CC4=CC=CC=C43.CC1=CC2=C([CH-]1)C=CC=C2C3=CC=CC4=CC=CC=C43.CC1=CC2=C([CH-]1)C=CC=C2C3=CC=CC4=CC=CC=C43.CC1=CC2=C([CH-]1)C=CC=C2C3=CC=CC4=CC=CC=C43.CC(=[Zr+2])C.CC(=[Zr+2])C.[Cl-].[Cl-]

Isomeric SMILES

CC1=CC2=C([CH-]1)C=CC=C2C3=CC=CC4=CC=CC=C43.CC1=CC2=C([CH-]1)C=CC=C2C3=CC=CC4=CC=CC=C43.CC1=CC2=C([CH-]1)C=CC=C2C3=CC=CC4=CC=CC=C43.CC1=CC2=C([CH-]1)C=CC=C2C3=CC=CC4=CC=CC=C43.CC(=[Zr+2])C.CC(=[Zr+2])C.[Cl-].[Cl-]

InChI

InChI=1S/4C20H15.2C3H6.2ClH.2Zr/c4*1-14-12-16-8-5-11-19(20(16)13-14)18-10-4-7-15-6-2-3-9-17(15)18;2*1-3-2;;;;/h4*2-13H,1H3;2*1-2H3;2*1H;;/q4*-1;;;;;2*+2/p-2