3-butan-2-yl-1H-inden-1-ide; methylidenezirconium(2+); dichloride

Systemtic Name: 3-butan-2-yl-1H-inden-1-ide; methylidenezirconium(2+); dichloride Openeye Name: methylenezirconium(2+); 3-sec-butyl-1H-inden-1-ide; dichloride CAS Name: 3-butan-2-yl-1H-inden-1-ide; methylenezirconium(2+); dichloride IUPAC Name: 3-butan-2-yl-1H-inden-1-ide; methylidenezirconium(2+); dichloride Traditional Name: methylenezirconium(2+); 3-sec-butyl-1H-inden-1-ide; dichloride Formula: C54H64Cl2Zr2-2 MolecularWeight: 966.43996

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/4C13H15.2CH2.2ClH.2Zr/c4*1-3-10(2)12-9-8-11-6-4-5-7-13(11)12;;;;;;/h4*4-10H,3H2,1-2H3;2*1H2;2*1H;;/q4*-1;;;;;2*+2/p-2