2-cyclopentyl-4-(4-propan-2-ylphenyl)-1H-inden-1-ide; 1-[4-(2-methyl-1H-inden-1-id-4-yl)phenyl]adamantane; zirconium(4+); dichloride

Systemtic Name: 2-cyclopentyl-4-(4-propan-2-ylphenyl)-1H-inden-1-ide; 1-[4-(2-methyl-1H-inden-1-id-4-yl)phenyl]adamantane; zirconium(4+); dichloride Openeye Name: 2-cyclopentyl-4-(4-isopropylphenyl)-1H-inden-1-ide; 1-[4-(2-methyl-1H-inden-1-id-4-yl)phenyl]adamantane; zirconium(4+); dichloride CAS Name: 2-cyclopentyl-4-(4-propan-2-ylphenyl)-1H-inden-1-ide; 1-[4-(2-methyl-1H-inden-1-id-4-yl)phenyl]adamantane; zirconium(4+); dichloride IUPAC Name: 2-cyclopentyl-4-(4-propan-2-ylphenyl)-1H-inden-1-ide; 1-[4-(2-methyl-1H-inden-1-id-4-yl)phenyl]adamantane; zirconium(4+); dichloride Traditional Name: 2-cyclopentyl-4-p-cumenyl-1H-inden-1-ide; 1-[4-(2-methyl-1H-inden-1-id-4-yl)phenyl]adamantane; zirconium(4+); dichloride Formula: C49H52Cl2Zr MolecularWeight: 803.06718

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C([CH-]1)C=CC=C2C3=CC=C(C=C3)C45CC6CC(C4)CC(C6)C5.CC(C)C1=CC=C(C=C1)C2=CC=CC3=C2C=C([CH-]3)C4CCCC4.[Cl-].[Cl-].[Zr+4]

Isomeric SMILES

CC1=CC2=C([CH-]1)C=CC=C2C3=CC=C(C=C3)C45CC6CC(C4)CC(C6)C5.CC(C)C1=CC=C(C=C1)C2=CC=CC3=C2C=C([CH-]3)C4CCCC4.[Cl-].[Cl-].[Zr+4]

InChI

InChI=1S/C26H27.C23H25.2ClH.Zr/c1-17-9-22-3-2-4-24(25(22)10-17)21-5-7-23(8-6-21)26-14-18-11-19(15-26)13-20(12-18)16-26;1-16(2)17-10-12-19(13-11-17)22-9-5-8-20-14-21(15-23(20)22)18-6-3-4-7-18;;;/h2-10,18-20H,11-16H2,1H3;5,8-16,18H,3-4,6-7H2,1-2H3;2*1H;/q2*-1;;;+4/p-2