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

Systemtic Name: 3-cyclopentyl-1H-inden-1-ide; propan-2-ylidenezirconium(2+); dichloride Openeye Name: 3-cyclopentyl-1H-inden-1-ide; isopropylidenezirconium(2+); dichloride CAS Name: 3-cyclopentyl-1H-inden-1-ide; propan-2-ylidenezirconium(2+); dichloride IUPAC Name: 3-cyclopentyl-1H-inden-1-ide; propan-2-ylidenezirconium(2+); dichloride Traditional Name: 3-cyclopentyl-1H-inden-1-ide; isopropylidenezirconium(2+); dichloride Formula: C62H72Cl2Zr2-2 MolecularWeight: 1070.58908

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Descriptors Computed from Structure

Canonical SMILES:

CC(=[Zr+2])C.CC(=[Zr+2])C.C1CCC(C1)C2=C[CH-]C3=CC=CC=C32.C1CCC(C1)C2=C[CH-]C3=CC=CC=C32.C1CCC(C1)C2=C[CH-]C3=CC=CC=C32.C1CCC(C1)C2=C[CH-]C3=CC=CC=C32.[Cl-].[Cl-]

Isomeric SMILES

CC(=[Zr+2])C.CC(=[Zr+2])C.C1CCC(C1)C2=C[CH-]C3=CC=CC=C32.C1CCC(C1)C2=C[CH-]C3=CC=CC=C32.C1CCC(C1)C2=C[CH-]C3=CC=CC=C32.C1CCC(C1)C2=C[CH-]C3=CC=CC=C32.[Cl-].[Cl-]

InChI

InChI=1S/4C14H15.2C3H6.2ClH.2Zr/c4*1-2-6-11(5-1)14-10-9-12-7-3-4-8-13(12)14;2*1-3-2;;;;/h4*3-4,7-11H,1-2,5-6H2;2*1-2H3;2*1H;;/q4*-1;;;;;2*+2/p-2