4-(4-tert-butylphenyl)-2-ethyl-1H-inden-1-ide; carbanide; ethanol; zirconium(3+); dichloride

Systemtic Name: 4-(4-tert-butylphenyl)-2-ethyl-1H-inden-1-ide; carbanide; ethanol; zirconium(3+); dichloride Openeye Name: 4-(4-tert-butylphenyl)-2-ethyl-1H-inden-1-ide; carbanide; ethanol; zirconium(3+); dichloride CAS Name: 4-(4-tert-butylphenyl)-2-ethyl-1H-inden-1-ide; carbanide; ethanol; zirconium(3+); dichloride IUPAC Name: 4-(4-tert-butylphenyl)-2-ethyl-1H-inden-1-ide; carbanide; ethanol; zirconium(3+); dichloride Traditional Name: 4-(4-tert-butylphenyl)-2-ethyl-1H-inden-1-ide; carbanide; ethanol; zirconium(3+); dichloride Formula: C24H31Cl2OZr-2 MolecularWeight: 497.63234

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Descriptors Computed from Structure

Canonical SMILES:

[CH3-].CCC1=CC2=C([CH-]1)C=CC=C2C3=CC=C(C=C3)C(C)(C)C.C[CH-]O.[Cl-].[Cl-].[Zr+3]

Isomeric SMILES

[CH3-].CCC1=CC2=C([CH-]1)C=CC=C2C3=CC=C(C=C3)C(C)(C)C.C[CH-]O.[Cl-].[Cl-].[Zr+3]

InChI

InChI=1S/C21H23.C2H5O.CH3.2ClH.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;1H3;2*1H;/q3*-1;;;+3/p-2