2-(3-methyl-3-propan-2-yl-cyclohexyl)-1H-inden-1-ide; zirconium(4+); dichloride

Systemtic Name: 2-(3-methyl-3-propan-2-yl-cyclohexyl)-1H-inden-1-ide; zirconium(4+); dichloride Openeye Name: 2-(3-isopropyl-3-methyl-cyclohexyl)-1H-inden-1-ide; zirconium(4+); dichloride CAS Name: 2-(3-methyl-3-propan-2-ylcyclohexyl)-1H-inden-1-ide; zirconium(4+); dichloride IUPAC Name: 2-(3-methyl-3-propan-2-ylcyclohexyl)-1H-inden-1-ide; zirconium(4+); dichloride Traditional Name: 2-(3-isopropyl-3-methyl-cyclohexyl)-1H-inden-1-ide; zirconium(4+); dichloride Formula: C38H50Cl2Zr MolecularWeight: 668.9336

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1(CCCC(C1)C2=CC3=CC=CC=C3[CH-]2)C.CC(C)C1(CCCC(C1)C2=CC3=CC=CC=C3[CH-]2)C.[Cl-].[Cl-].[Zr+4]

Isomeric SMILES

CC(C)C1(CCCC(C1)C2=CC3=CC=CC=C3[CH-]2)C.CC(C)C1(CCCC(C1)C2=CC3=CC=CC=C3[CH-]2)C.[Cl-].[Cl-].[Zr+4]

InChI

InChI=1S/2C19H25.2ClH.Zr/c2*1-14(2)19(3)10-6-9-17(13-19)18-11-15-7-4-5-8-16(15)12-18;;;/h2*4-5,7-8,11-12,14,17H,6,9-10,13H2,1-3H3;2*1H;/q2*-1;;;+4/p-2