5,5-dimethylcyclohexa-1,3-diene; 1H-inden-1-ide; propan-2-ylidenezirconium(2+); dichloride

Systemtic Name: 5,5-dimethylcyclohexa-1,3-diene; 1H-inden-1-ide; propan-2-ylidenezirconium(2+); dichloride Openeye Name: 5,5-dimethylcyclohexa-1,3-diene; 1H-inden-1-ide; isopropylidenezirconium(2+); dichloride CAS Name: 5,5-dimethylcyclohexa-1,3-diene; 1H-inden-1-ide; propan-2-ylidenezirconium(2+); dichloride IUPAC Name: 5,5-dimethylcyclohexa-1,3-diene; 1H-inden-1-ide; propan-2-ylidenezirconium(2+); dichloride Traditional Name: 5,5-dimethylcyclohexa-1,3-diene; 1H-inden-1-ide; isopropylidenezirconium(2+); dichloride Formula: C20H24Cl2Zr-2 MolecularWeight: 426.53456

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Descriptors Computed from Structure

Canonical SMILES:

CC(=[Zr+2])C.CC1(CC=[C-]C=C1)C.[CH-]1C=CC2=CC=CC=C21.[Cl-].[Cl-]

Isomeric SMILES

CC(=[Zr+2])C.CC1(CC=[C-]C=C1)C.[CH-]1C=CC2=CC=CC=C21.[Cl-].[Cl-]

InChI

InChI=1S/C9H7.C8H11.C3H6.2ClH.Zr/c1-2-5-9-7-3-6-8(9)4-1;1-8(2)6-4-3-5-7-8;1-3-2;;;/h1-7H;4-6H,7H2,1-2H3;1-2H3;2*1H;/q2*-1;;;;+2/p-2