heptan-4-ylidenezirconium(2+); 1H-inden-1-ide; dichloride

Systemtic Name: heptan-4-ylidenezirconium(2+); 1H-inden-1-ide; dichloride Openeye Name: 1H-inden-1-ide; 1-propylbutylidenezirconium(2+); dichloride CAS Name: heptan-4-ylidenezirconium(2+); 1H-inden-1-ide; dichloride IUPAC Name: heptan-4-ylidenezirconium(2+); 1H-inden-1-ide; dichloride Traditional Name: 1H-inden-1-ide; 1-propylbutylidenezirconium(2+); dichloride Formula: C50H56Cl2Zr2-2 MolecularWeight: 910.33364

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=[Zr+2])CCC.CCCC(=[Zr+2])CCC.[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

CCCC(=[Zr+2])CCC.CCCC(=[Zr+2])CCC.[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*1-3-5-7-6-4-2;;;;/h4*1-7H;2*3-6H2,1-2H3;2*1H;;/q4*-1;;;;;2*+2/p-2