cyclopenta-1,3-diene; 2,7-dimethyl-1,9-dihydrofluoren-1-ide; 1-phenylethylidenezirconium(2+); dichloride

Systemtic Name: cyclopenta-1,3-diene; 2,7-dimethyl-1,9-dihydrofluoren-1-ide; 1-phenylethylidenezirconium(2+); dichloride Openeye Name: cyclopenta-1,3-diene; 2,7-dimethyl-1,9-dihydrofluoren-1-ide; 1-phenylethylidenezirconium(2+); dichloride CAS Name: cyclopenta-1,3-diene; 2,7-dimethyl-1,9-dihydrofluoren-1-ide; 1-phenylethylidenezirconium(2+); dichloride IUPAC Name: cyclopenta-1,3-diene; 2,7-dimethyl-1,9-dihydrofluoren-1-ide; 1-phenylethylidenezirconium(2+); dichloride Traditional Name: cyclopenta-1,3-diene; 2,7-dimethyl-1,9-dihydrofluoren-1-ide; 1-phenylethylidenezirconium(2+); dichloride Formula: C56H52Cl2Zr2-2 MolecularWeight: 978.36608

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)C3=CC=C([C-]=C3C2)C.CC1=CC2=C(C=C1)C3=CC=C([C-]=C3C2)C.CC(=[Zr+2])C1=CC=CC=C1.CC(=[Zr+2])C1=CC=CC=C1.C1C=CC=[C-]1.C1C=CC=[C-]1.[Cl-].[Cl-]

Isomeric SMILES

CC1=CC2=C(C=C1)C3=CC=C([C-]=C3C2)C.CC1=CC2=C(C=C1)C3=CC=C([C-]=C3C2)C.CC(=[Zr+2])C1=CC=CC=C1.CC(=[Zr+2])C1=CC=CC=C1.C1C=CC=[C-]1.C1C=CC=[C-]1.[Cl-].[Cl-]

InChI

InChI=1S/2C15H13.2C8H8.2C5H5.2ClH.2Zr/c2*1-10-3-5-14-12(7-10)9-13-8-11(2)4-6-15(13)14;2*1-2-8-6-4-3-5-7-8;2*1-2-4-5-3-1;;;;/h2*3-7H,9H2,1-2H3;2*3-7H,1H3;2*1-3H,4H2;2*1H;;/q2*-1;;;2*-1;;;2*+2/p-2