2,7-dimethyl-4-phenyl-1H-inden-1-ide; methylidenezirconium(2+); 4-phenyl-2-propan-2-yl-1H-inden-1-ide; dichloride

Systemtic Name: 2,7-dimethyl-4-phenyl-1H-inden-1-ide; methylidenezirconium(2+); 4-phenyl-2-propan-2-yl-1H-inden-1-ide; dichloride Openeye Name: 2,7-dimethyl-4-phenyl-1H-inden-1-ide; 2-isopropyl-4-phenyl-1H-inden-1-ide; methylenezirconium(2+); dichloride CAS Name: 2,7-dimethyl-4-phenyl-1H-inden-1-ide; methylenezirconium(2+); 4-phenyl-2-propan-2-yl-1H-inden-1-ide; dichloride IUPAC Name: 2,7-dimethyl-4-phenyl-1H-inden-1-ide; methylidenezirconium(2+); 4-phenyl-2-propan-2-yl-1H-inden-1-ide; dichloride Traditional Name: 2,7-dimethyl-4-phenyl-1H-inden-1-ide; 2-isopropyl-4-phenyl-1H-inden-1-ide; methylenezirconium(2+); dichloride Formula: C72H68Cl2Zr2-2 MolecularWeight: 1186.66432

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=CC(=C2[CH-]1)C)C3=CC=CC=C3.CC1=CC2=C(C=CC(=C2[CH-]1)C)C3=CC=CC=C3.CC(C)C1=CC2=C([CH-]1)C=CC=C2C3=CC=CC=C3.CC(C)C1=CC2=C([CH-]1)C=CC=C2C3=CC=CC=C3.C=[Zr+2].C=[Zr+2].[Cl-].[Cl-]

Isomeric SMILES

CC1=CC2=C(C=CC(=C2[CH-]1)C)C3=CC=CC=C3.CC1=CC2=C(C=CC(=C2[CH-]1)C)C3=CC=CC=C3.CC(C)C1=CC2=C([CH-]1)C=CC=C2C3=CC=CC=C3.CC(C)C1=CC2=C([CH-]1)C=CC=C2C3=CC=CC=C3.C=[Zr+2].C=[Zr+2].[Cl-].[Cl-]

InChI

InChI=1S/2C18H17.2C17H15.2CH2.2ClH.2Zr/c2*1-13(2)16-11-15-9-6-10-17(18(15)12-16)14-7-4-3-5-8-14;2*1-12-10-16-13(2)8-9-15(17(16)11-12)14-6-4-3-5-7-14;;;;;;/h2*3-13H,1-2H3;2*3-11H,1-2H3;2*1H2;2*1H;;/q4*-1;;;;;2*+2/p-2