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

Systemtic Name: 3-cyclopropyl-1H-inden-1-ide; methylidenezirconium(2+); dichloride Openeye Name: 3-cyclopropyl-1H-inden-1-ide; methylenezirconium(2+); dichloride CAS Name: 3-cyclopropyl-1H-inden-1-ide; methylenezirconium(2+); dichloride IUPAC Name: 3-cyclopropyl-1H-inden-1-ide; methylidenezirconium(2+); dichloride Traditional Name: 3-cyclopropyl-1H-inden-1-ide; methylenezirconium(2+); dichloride Formula: C50H48Cl2Zr2-2 MolecularWeight: 902.27012

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Descriptors Computed from Structure

Canonical SMILES:

C=[Zr+2].C=[Zr+2].C1CC1C2=C[CH-]C3=CC=CC=C32.C1CC1C2=C[CH-]C3=CC=CC=C32.C1CC1C2=C[CH-]C3=CC=CC=C32.C1CC1C2=C[CH-]C3=CC=CC=C32.[Cl-].[Cl-]

Isomeric SMILES

C=[Zr+2].C=[Zr+2].C1CC1C2=C[CH-]C3=CC=CC=C32.C1CC1C2=C[CH-]C3=CC=CC=C32.C1CC1C2=C[CH-]C3=CC=CC=C32.C1CC1C2=C[CH-]C3=CC=CC=C32.[Cl-].[Cl-]

InChI

InChI=1S/4C12H11.2CH2.2ClH.2Zr/c4*1-2-4-11-9(3-1)7-8-12(11)10-5-6-10;;;;;;/h4*1-4,7-8,10H,5-6H2;2*1H2;2*1H;;/q4*-1;;;;;2*+2/p-2