3-pentan-2-yl-1H-inden-1-ide; propan-2-ylidenezirconium(2+); dichloride

Systemtic Name: 3-pentan-2-yl-1H-inden-1-ide; propan-2-ylidenezirconium(2+); dichloride Openeye Name: isopropylidenezirconium(2+); 3-(1-methylbutyl)-1H-inden-1-ide; dichloride CAS Name: 3-pentan-2-yl-1H-inden-1-ide; propan-2-ylidenezirconium(2+); dichloride IUPAC Name: 3-pentan-2-yl-1H-inden-1-ide; propan-2-ylidenezirconium(2+); dichloride Traditional Name: isopropylidenezirconium(2+); 3-(1-methylbutyl)-1H-inden-1-ide; dichloride Formula: C62H80Cl2Zr2-2 MolecularWeight: 1078.6526

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C)C1=C[CH-]C2=CC=CC=C21.CCCC(C)C1=C[CH-]C2=CC=CC=C21.CCCC(C)C1=C[CH-]C2=CC=CC=C21.CCCC(C)C1=C[CH-]C2=CC=CC=C21.CC(=[Zr+2])C.CC(=[Zr+2])C.[Cl-].[Cl-]

Isomeric SMILES

CCCC(C)C1=C[CH-]C2=CC=CC=C21.CCCC(C)C1=C[CH-]C2=CC=CC=C21.CCCC(C)C1=C[CH-]C2=CC=CC=C21.CCCC(C)C1=C[CH-]C2=CC=CC=C21.CC(=[Zr+2])C.CC(=[Zr+2])C.[Cl-].[Cl-]

InChI

InChI=1S/4C14H17.2C3H6.2ClH.2Zr/c4*1-3-6-11(2)13-10-9-12-7-4-5-8-14(12)13;2*1-3-2;;;;/h4*4-5,7-11H,3,6H2,1-2H3;2*1-2H3;2*1H;;/q4*-1;;;;;2*+2/p-2