2-methyl-1H-inden-1-ide; propane; zirconium(3+); dichloride

Systemtic Name: 2-methyl-1H-inden-1-ide; propane; zirconium(3+); dichloride Openeye Name: 2-methyl-1H-inden-1-ide; propane; zirconium(3+); dichloride CAS Name: 2-methyl-1H-inden-1-ide; propane; zirconium(3+); dichloride IUPAC Name: 2-methyl-1H-inden-1-ide; propane; zirconium(3+); dichloride Traditional Name: 2-methyl-1H-inden-1-ide; propane; zirconium(3+); dichloride Formula: C46H50Cl2Zr2-2 MolecularWeight: 856.2432

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Descriptors Computed from Structure

Canonical SMILES:

C[CH-]C.C[CH-]C.CC1=CC2=CC=CC=C2[CH-]1.CC1=CC2=CC=CC=C2[CH-]1.CC1=CC2=CC=CC=C2[CH-]1.CC1=CC2=CC=CC=C2[CH-]1.[Cl-].[Cl-].[Zr+3].[Zr+3]

Isomeric SMILES

C[CH-]C.C[CH-]C.CC1=CC2=CC=CC=C2[CH-]1.CC1=CC2=CC=CC=C2[CH-]1.CC1=CC2=CC=CC=C2[CH-]1.CC1=CC2=CC=CC=C2[CH-]1.[Cl-].[Cl-].[Zr+3].[Zr+3]

InChI

InChI=1S/4C10H9.2C3H7.2ClH.2Zr/c4*1-8-6-9-4-2-3-5-10(9)7-8;2*1-3-2;;;;/h4*2-7H,1H3;2*3H,1-2H3;2*1H;;/q6*-1;;;2*+3/p-2