2,4-dimethyl-1,9-dihydrofluoren-1-ide; zirconium(2+); trichloride

Systemtic Name: 2,4-dimethyl-1,9-dihydrofluoren-1-ide; zirconium(2+); trichloride Openeye Name: 2,4-dimethyl-1,9-dihydrofluoren-1-ide; zirconium(2+); trichloride CAS Name: 2,4-dimethyl-1,9-dihydrofluoren-1-ide; zirconium(2+); trichloride IUPAC Name: 2,4-dimethyl-1,9-dihydrofluoren-1-ide; zirconium(2+); trichloride Traditional Name: 2,4-dimethyl-1,9-dihydrofluoren-1-ide; zirconium(2+); trichloride Formula: C45H39Cl3Zr3 MolecularWeight: 959.82216

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C2C(=[C-]1)CC3=CC=CC=C32)C.CC1=CC(=C2C(=[C-]1)CC3=CC=CC=C32)C.CC1=CC(=C2C(=[C-]1)CC3=CC=CC=C32)C.[Cl-].[Cl-].[Cl-].[Zr+2].[Zr+2].[Zr+2]

Isomeric SMILES

CC1=CC(=C2C(=[C-]1)CC3=CC=CC=C32)C.CC1=CC(=C2C(=[C-]1)CC3=CC=CC=C32)C.CC1=CC(=C2C(=[C-]1)CC3=CC=CC=C32)C.[Cl-].[Cl-].[Cl-].[Zr+2].[Zr+2].[Zr+2]

InChI

InChI=1S/3C15H13.3ClH.3Zr/c3*1-10-7-11(2)15-13(8-10)9-12-5-3-4-6-14(12)15;;;;;;/h3*3-7H,9H2,1-2H3;3*1H;;;/q3*-1;;;;3*+2/p-3