methylidenezirconium(2+); 2,5,6-trimethyl-1H-inden-1-ide; dichloride

Systemtic Name: methylidenezirconium(2+); 2,5,6-trimethyl-1H-inden-1-ide; dichloride Openeye Name: methylenezirconium(2+); 2,5,6-trimethyl-1H-inden-1-ide; dichloride CAS Name: methylenezirconium(2+); 2,5,6-trimethyl-1H-inden-1-ide; dichloride IUPAC Name: methylidenezirconium(2+); 2,5,6-trimethyl-1H-inden-1-ide; dichloride Traditional Name: methylenezirconium(2+); 2,5,6-trimethyl-1H-inden-1-ide; dichloride Formula: C50H56Cl2Zr2-2 MolecularWeight: 910.33364

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/4C12H13.2CH2.2ClH.2Zr/c4*1-8-4-11-6-9(2)10(3)7-12(11)5-8;;;;;;/h4*4-7H,1-3H3;2*1H2;2*1H;;/q4*-1;;;;;2*+2/p-2