2,7-dimethyl-4-propan-2-yl-1H-inden-1-ide; 9H-fluoren-9-ide; zirconium(2+); dichloride

Systemtic Name: 2,7-dimethyl-4-propan-2-yl-1H-inden-1-ide; 9H-fluoren-9-ide; zirconium(2+); dichloride Openeye Name: 9H-fluoren-9-ide; 4-isopropyl-2,7-dimethyl-1H-inden-1-ide; zirconium(2+); dichloride CAS Name: 2,7-dimethyl-4-propan-2-yl-1H-inden-1-ide; 9H-fluoren-9-ide; zirconium(2+); dichloride IUPAC Name: 2,7-dimethyl-4-propan-2-yl-1H-inden-1-ide; 9H-fluoren-9-ide; zirconium(2+); dichloride Traditional Name: 9H-fluoren-9-ide; 4-isopropyl-2,7-dimethyl-1H-inden-1-ide; zirconium(2+); dichloride Formula: C54H52Cl2Zr2-2 MolecularWeight: 954.34468

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=CC(=C2[CH-]1)C)C(C)C.CC1=CC2=C(C=CC(=C2[CH-]1)C)C(C)C.[CH-]1C2=CC=CC=C2C3=CC=CC=C31.[CH-]1C2=CC=CC=C2C3=CC=CC=C31.[Cl-].[Cl-].[Zr+2].[Zr+2]

Isomeric SMILES

CC1=CC2=C(C=CC(=C2[CH-]1)C)C(C)C.CC1=CC2=C(C=CC(=C2[CH-]1)C)C(C)C.[CH-]1C2=CC=CC=C2C3=CC=CC=C31.[CH-]1C2=CC=CC=C2C3=CC=CC=C31.[Cl-].[Cl-].[Zr+2].[Zr+2]

InChI

InChI=1S/2C14H17.2C13H9.2ClH.2Zr/c2*1-9(2)12-6-5-11(4)13-7-10(3)8-14(12)13;2*1-3-7-12-10(5-1)9-11-6-2-4-8-13(11)12;;;;/h2*5-9H,1-4H3;2*1-9H;2*1H;;/q4*-1;;;2*+2/p-2