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

Systemtic Name: methylidenezirconium(2+); 1-(2-methyl-1H-inden-1-id-4-yl)naphthalene; dichloride Openeye Name: methylenezirconium(2+); 1-(2-methyl-1H-inden-1-id-4-yl)naphthalene; dichloride CAS Name: methylenezirconium(2+); 1-(2-methyl-1H-inden-1-id-4-yl)naphthalene; dichloride IUPAC Name: methylidenezirconium(2+); 1-(2-methyl-1H-inden-1-id-4-yl)naphthalene; dichloride Traditional Name: methylenezirconium(2+); 1-(2-methyl-1H-inden-1-id-4-yl)naphthalene; dichloride Formula: C82H64Cl2Zr2-2 MolecularWeight: 1302.73956

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.C=[Zr+2].C=[Zr+2].[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.C=[Zr+2].C=[Zr+2].[Cl-].[Cl-]

InChI

InChI=1S/4C20H15.2CH2.2ClH.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;;;;;;/h4*2-13H,1H3;2*1H2;2*1H;;/q4*-1;;;;;2*+2/p-2