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

Systemtic Name: 3-ethyl-1H-inden-1-ide; propan-2-ylidenezirconium(2+); dichloride Openeye Name: 3-ethyl-1H-inden-1-ide; isopropylidenezirconium(2+); dichloride CAS Name: 3-ethyl-1H-inden-1-ide; propan-2-ylidenezirconium(2+); dichloride IUPAC Name: 3-ethyl-1H-inden-1-ide; propan-2-ylidenezirconium(2+); dichloride Traditional Name: 3-ethyl-1H-inden-1-ide; isopropylidenezirconium(2+); dichloride Formula: C50H56Cl2Zr2-2 MolecularWeight: 910.33364

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C[CH-]C2=CC=CC=C21.CCC1=C[CH-]C2=CC=CC=C21.CCC1=C[CH-]C2=CC=CC=C21.CCC1=C[CH-]C2=CC=CC=C21.CC(=[Zr+2])C.CC(=[Zr+2])C.[Cl-].[Cl-]

Isomeric SMILES

CCC1=C[CH-]C2=CC=CC=C21.CCC1=C[CH-]C2=CC=CC=C21.CCC1=C[CH-]C2=CC=CC=C21.CCC1=C[CH-]C2=CC=CC=C21.CC(=[Zr+2])C.CC(=[Zr+2])C.[Cl-].[Cl-]

InChI

InChI=1S/4C11H11.2C3H6.2ClH.2Zr/c4*1-2-9-7-8-10-5-3-4-6-11(9)10;2*1-3-2;;;;/h4*3-8H,2H2,1H3;2*1-2H3;2*1H;;/q4*-1;;;;;2*+2/p-2