methylidenezirconium(2+); 2-methyl-4-propan-2-yl-1H-inden-1-ide; dichloride

Systemtic Name: methylidenezirconium(2+); 2-methyl-4-propan-2-yl-1H-inden-1-ide; dichloride Openeye Name: 4-isopropyl-2-methyl-1H-inden-1-ide; methylenezirconium(2+); dichloride CAS Name: methylenezirconium(2+); 2-methyl-4-propan-2-yl-1H-inden-1-ide; dichloride IUPAC Name: methylidenezirconium(2+); 2-methyl-4-propan-2-yl-1H-inden-1-ide; dichloride Traditional Name: 4-isopropyl-2-methyl-1H-inden-1-ide; methylenezirconium(2+); dichloride Formula: C54H64Cl2Zr2-2 MolecularWeight: 966.43996

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C([CH-]1)C=CC=C2C(C)C.CC1=CC2=C([CH-]1)C=CC=C2C(C)C.CC1=CC2=C([CH-]1)C=CC=C2C(C)C.CC1=CC2=C([CH-]1)C=CC=C2C(C)C.C=[Zr+2].C=[Zr+2].[Cl-].[Cl-]

Isomeric SMILES

CC1=CC2=C([CH-]1)C=CC=C2C(C)C.CC1=CC2=C([CH-]1)C=CC=C2C(C)C.CC1=CC2=C([CH-]1)C=CC=C2C(C)C.CC1=CC2=C([CH-]1)C=CC=C2C(C)C.C=[Zr+2].C=[Zr+2].[Cl-].[Cl-]

InChI

InChI=1S/4C13H15.2CH2.2ClH.2Zr/c4*1-9(2)12-6-4-5-11-7-10(3)8-13(11)12;;;;;;/h4*4-9H,1-3H3;2*1H2;2*1H;;/q4*-1;;;;;2*+2/p-2