2-ethyl-5-(4-propan-2-yl-1H-inden-1-id-2-yl)furan; zirconium(4+); dichloride

Systemtic Name: 2-ethyl-5-(4-propan-2-yl-1H-inden-1-id-2-yl)furan; zirconium(4+); dichloride Openeye Name: 2-ethyl-5-(4-isopropyl-1H-inden-1-id-2-yl)furan; zirconium(4+); dichloride CAS Name: 2-ethyl-5-(4-propan-2-yl-1H-inden-1-id-2-yl)furan; zirconium(4+); dichloride IUPAC Name: 2-ethyl-5-(4-propan-2-yl-1H-inden-1-id-2-yl)furan; zirconium(4+); dichloride Traditional Name: 2-ethyl-5-(4-isopropyl-1H-inden-1-id-2-yl)furan; zirconium(4+); dichloride Formula: C36H38Cl2O2Zr MolecularWeight: 664.81572

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(O1)C2=CC3=C([CH-]2)C=CC=C3C(C)C.CCC1=CC=C(O1)C2=CC3=C([CH-]2)C=CC=C3C(C)C.[Cl-].[Cl-].[Zr+4]

Isomeric SMILES

CCC1=CC=C(O1)C2=CC3=C([CH-]2)C=CC=C3C(C)C.CCC1=CC=C(O1)C2=CC3=C([CH-]2)C=CC=C3C(C)C.[Cl-].[Cl-].[Zr+4]

InChI

InChI=1S/2C18H19O.2ClH.Zr/c2*1-4-15-8-9-18(19-15)14-10-13-6-5-7-16(12(2)3)17(13)11-14;;;/h2*5-12H,4H2,1-3H3;2*1H;/q2*-1;;;+4/p-2