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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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