4-(4-tert-butylphenyl)-2-ethyl-1H-inden-1-ide; ethanol; zirconium(2+); dichloride

Systemtic Name: 4-(4-tert-butylphenyl)-2-ethyl-1H-inden-1-ide; ethanol; zirconium(2+); dichloride Openeye Name: 4-(4-tert-butylphenyl)-2-ethyl-1H-inden-1-ide; ethanol; zirconium(2+); dichloride CAS Name: 4-(4-tert-butylphenyl)-2-ethyl-1H-inden-1-ide; ethanol; zirconium(2+); dichloride IUPAC Name: 4-(4-tert-butylphenyl)-2-ethyl-1H-inden-1-ide; ethanol; zirconium(2+); dichloride Traditional Name: 4-(4-tert-butylphenyl)-2-ethyl-1H-inden-1-ide; ethanol; zirconium(2+); dichloride Formula: C23H28Cl2OZr-2 MolecularWeight: 482.59782

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=C([CH-]1)C=CC=C2C3=CC=C(C=C3)C(C)(C)C.C[CH-]O.[Cl-].[Cl-].[Zr+2]

Isomeric SMILES

CCC1=CC2=C([CH-]1)C=CC=C2C3=CC=C(C=C3)C(C)(C)C.C[CH-]O.[Cl-].[Cl-].[Zr+2]

InChI

InChI=1S/C21H23.C2H5O.2ClH.Zr/c1-5-15-13-17-7-6-8-19(20(17)14-15)16-9-11-18(12-10-16)21(2,3)4;1-2-3;;;/h6-14H,5H2,1-4H3;2-3H,1H3;2*1H;/q2*-1;;;+2/p-2