4-(4-methoxyphenyl)-2-(2-methylpropyl)-1H-inden-1-ide; 2-methyl-1H-inden-1-ide; zirconium(2+); dichloride

Systemtic Name: 4-(4-methoxyphenyl)-2-(2-methylpropyl)-1H-inden-1-ide; 2-methyl-1H-inden-1-ide; zirconium(2+); dichloride Openeye Name: 2-isobutyl-4-(4-methoxyphenyl)-1H-inden-1-ide; 2-methyl-1H-inden-1-ide; zirconium(2+); dichloride CAS Name: 4-(4-methoxyphenyl)-2-(2-methylpropyl)-1H-inden-1-ide; 2-methyl-1H-inden-1-ide; zirconium(2+); dichloride IUPAC Name: 4-(4-methoxyphenyl)-2-(2-methylpropyl)-1H-inden-1-ide; 2-methyl-1H-inden-1-ide; zirconium(2+); dichloride Traditional Name: 2-isobutyl-4-(4-methoxyphenyl)-1H-inden-1-ide; 2-methyl-1H-inden-1-ide; zirconium(2+); dichloride Formula: C60H60Cl2O2Zr2-2 MolecularWeight: 1066.4712

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=CC=CC=C2[CH-]1.CC1=CC2=CC=CC=C2[CH-]1.CC(C)CC1=CC2=C([CH-]1)C=CC=C2C3=CC=C(C=C3)OC.CC(C)CC1=CC2=C([CH-]1)C=CC=C2C3=CC=C(C=C3)OC.[Cl-].[Cl-].[Zr+2].[Zr+2]

Isomeric SMILES

CC1=CC2=CC=CC=C2[CH-]1.CC1=CC2=CC=CC=C2[CH-]1.CC(C)CC1=CC2=C([CH-]1)C=CC=C2C3=CC=C(C=C3)OC.CC(C)CC1=CC2=C([CH-]1)C=CC=C2C3=CC=C(C=C3)OC.[Cl-].[Cl-].[Zr+2].[Zr+2]

InChI

InChI=1S/2C20H21O.2C10H9.2ClH.2Zr/c2*1-14(2)11-15-12-17-5-4-6-19(20(17)13-15)16-7-9-18(21-3)10-8-16;2*1-8-6-9-4-2-3-5-10(9)7-8;;;;/h2*4-10,12-14H,11H2,1-3H3;2*2-7H,1H3;2*1H;;/q4*-1;;;2*+2/p-2