2,4-dimethylpentan-3-ylidenezirconium(2+); 1H-inden-1-ide; dichloride

Systemtic Name: 2,4-dimethylpentan-3-ylidenezirconium(2+); 1H-inden-1-ide; dichloride Openeye Name: 1H-inden-1-ide; (1-isopropyl-2-methyl-propylidene)zirconium(2+); dichloride CAS Name: 2,4-dimethylpentan-3-ylidenezirconium(2+); 1H-inden-1-ide; dichloride IUPAC Name: 2,4-dimethylpentan-3-ylidenezirconium(2+); 1H-inden-1-ide; dichloride Traditional Name: 1H-inden-1-ide; (1-isopropyl-2-methyl-propylidene)zirconium(2+); dichloride Formula: C50H56Cl2Zr2-2 MolecularWeight: 910.33364

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(=[Zr+2])C(C)C.CC(C)C(=[Zr+2])C(C)C.[CH-]1C=CC2=CC=CC=C21.[CH-]1C=CC2=CC=CC=C21.[CH-]1C=CC2=CC=CC=C21.[CH-]1C=CC2=CC=CC=C21.[Cl-].[Cl-]

Isomeric SMILES

CC(C)C(=[Zr+2])C(C)C.CC(C)C(=[Zr+2])C(C)C.[CH-]1C=CC2=CC=CC=C21.[CH-]1C=CC2=CC=CC=C21.[CH-]1C=CC2=CC=CC=C21.[CH-]1C=CC2=CC=CC=C21.[Cl-].[Cl-]

InChI

InChI=1S/4C9H7.2C7H14.2ClH.2Zr/c4*1-2-5-9-7-3-6-8(9)4-1;2*1-6(2)5-7(3)4;;;;/h4*1-7H;2*6-7H,1-4H3;2*1H;;/q4*-1;;;;;2*+2/p-2