cyclopenta-1,3-diene; 9H-fluoren-9-ide; phenylmethylbenzene; zirconium(3+); dichloride

Systemtic Name: cyclopenta-1,3-diene; 9H-fluoren-9-ide; phenylmethylbenzene; zirconium(3+); dichloride Openeye Name: cyclopenta-1,3-diene; 9H-fluoren-9-ide; phenylmethylbenzene; zirconium(3+); dichloride CAS Name: cyclopenta-1,3-diene; 9H-fluoren-9-ide; phenylmethylbenzene; zirconium(3+); dichloride IUPAC Name: cyclopenta-1,3-diene; 9H-fluoren-9-ide; phenylmethylbenzene; zirconium(3+); dichloride Traditional Name: cyclopenta-1,3-diene; 9H-fluoren-9-ide; phenylmethylbenzene; zirconium(3+); dichloride Formula: C62H50Cl2Zr2-2 MolecularWeight: 1048.4144

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Descriptors Computed from Structure

Canonical SMILES:

C1C=CC=[C-]1.C1C=CC=[C-]1.[CH-]1C2=CC=CC=C2C3=CC=CC=C31.[CH-]1C2=CC=CC=C2C3=CC=CC=C31.C1=CC=C(C=C1)[CH-]C2=CC=CC=C2.C1=CC=C(C=C1)[CH-]C2=CC=CC=C2.[Cl-].[Cl-].[Zr+3].[Zr+3]

Isomeric SMILES

C1C=CC=[C-]1.C1C=CC=[C-]1.[CH-]1C2=CC=CC=C2C3=CC=CC=C31.[CH-]1C2=CC=CC=C2C3=CC=CC=C31.C1=CC=C(C=C1)[CH-]C2=CC=CC=C2.C1=CC=C(C=C1)[CH-]C2=CC=CC=C2.[Cl-].[Cl-].[Zr+3].[Zr+3]

InChI

InChI=1S/2C13H9.2C13H11.2C5H5.2ClH.2Zr/c2*1-3-7-12-10(5-1)9-11-6-2-4-8-13(11)12;2*1-3-7-12(8-4-1)11-13-9-5-2-6-10-13;2*1-2-4-5-3-1;;;;/h2*1-9H;2*1-11H;2*1-3H,4H2;2*1H;;/q6*-1;;;2*+3/p-2