1-tert-butylcyclopenta-1,3-diene; 3-methyl-1H-inden-1-ide; propan-2-ylidenezirconium(2+); dichloride

Systemtic Name: 1-tert-butylcyclopenta-1,3-diene; 3-methyl-1H-inden-1-ide; propan-2-ylidenezirconium(2+); dichloride Openeye Name: 1-tert-butylcyclopenta-1,3-diene; isopropylidenezirconium(2+); 3-methyl-1H-inden-1-ide; dichloride CAS Name: 1-tert-butylcyclopenta-1,3-diene; 3-methyl-1H-inden-1-ide; propan-2-ylidenezirconium(2+); dichloride IUPAC Name: 1-tert-butylcyclopenta-1,3-diene; 3-methyl-1H-inden-1-ide; propan-2-ylidenezirconium(2+); dichloride Traditional Name: 1-tert-butylcyclopenta-1,3-diene; isopropylidenezirconium(2+); 3-methyl-1H-inden-1-ide; dichloride Formula: C44H56Cl2Zr2-2 MolecularWeight: 838.26944

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C[CH-]C2=CC=CC=C12.CC1=C[CH-]C2=CC=CC=C12.CC(=[Zr+2])C.CC(=[Zr+2])C.CC(C)(C)C1=CC=[C-]C1.CC(C)(C)C1=CC=[C-]C1.[Cl-].[Cl-]

Isomeric SMILES

CC1=C[CH-]C2=CC=CC=C12.CC1=C[CH-]C2=CC=CC=C12.CC(=[Zr+2])C.CC(=[Zr+2])C.CC(C)(C)C1=CC=[C-]C1.CC(C)(C)C1=CC=[C-]C1.[Cl-].[Cl-]

InChI

InChI=1S/2C10H9.2C9H13.2C3H6.2ClH.2Zr/c2*1-8-6-7-9-4-2-3-5-10(8)9;2*1-9(2,3)8-6-4-5-7-8;2*1-3-2;;;;/h2*2-7H,1H3;2*4,6H,7H2,1-3H3;2*1-2H3;2*1H;;/q4*-1;;;;;2*+2/p-2