4-(4-methoxyphenyl)-2-propan-2-yl-1H-inden-1-ide; zirconium(2+); dichloride

Systemtic Name: 4-(4-methoxyphenyl)-2-propan-2-yl-1H-inden-1-ide; zirconium(2+); dichloride Openeye Name: 2-isopropyl-4-(4-methoxyphenyl)-1H-inden-1-ide; zirconium(2+); dichloride CAS Name: 4-(4-methoxyphenyl)-2-propan-2-yl-1H-inden-1-ide; zirconium(2+); dichloride IUPAC Name: 4-(4-methoxyphenyl)-2-propan-2-yl-1H-inden-1-ide; zirconium(2+); dichloride Traditional Name: 2-isopropyl-4-(4-methoxyphenyl)-1H-inden-1-ide; zirconium(2+); dichloride Formula: C76H76Cl2O4Zr2-2 MolecularWeight: 1306.76824

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC2=C([CH-]1)C=CC=C2C3=CC=C(C=C3)OC.CC(C)C1=CC2=C([CH-]1)C=CC=C2C3=CC=C(C=C3)OC.CC(C)C1=CC2=C([CH-]1)C=CC=C2C3=CC=C(C=C3)OC.CC(C)C1=CC2=C([CH-]1)C=CC=C2C3=CC=C(C=C3)OC.[Cl-].[Cl-].[Zr+2].[Zr+2]

Isomeric SMILES

CC(C)C1=CC2=C([CH-]1)C=CC=C2C3=CC=C(C=C3)OC.CC(C)C1=CC2=C([CH-]1)C=CC=C2C3=CC=C(C=C3)OC.CC(C)C1=CC2=C([CH-]1)C=CC=C2C3=CC=C(C=C3)OC.CC(C)C1=CC2=C([CH-]1)C=CC=C2C3=CC=C(C=C3)OC.[Cl-].[Cl-].[Zr+2].[Zr+2]

InChI

InChI=1S/4C19H19O.2ClH.2Zr/c4*1-13(2)16-11-15-5-4-6-18(19(15)12-16)14-7-9-17(20-3)10-8-14;;;;/h4*4-13H,1-3H3;2*1H;;/q4*-1;;;2*+2/p-2