cyclopenta-1,3-diene; 1H-inden-1-ide; prop-1-ene; zirconium(3+); dichloride

Systemtic Name: cyclopenta-1,3-diene; 1H-inden-1-ide; prop-1-ene; zirconium(3+); dichloride Openeye Name: cyclopenta-1,3-diene; 1H-inden-1-ide; prop-1-ene; zirconium(3+); dichloride CAS Name: cyclopenta-1,3-diene; 1H-inden-1-ide; 1-propene; zirconium(3+); dichloride IUPAC Name: cyclopenta-1,3-diene; 1H-inden-1-ide; prop-1-ene; zirconium(3+); dichloride Traditional Name: cyclopenta-1,3-diene; 1H-inden-1-ide; prop-1-ene; zirconium(3+); dichloride Formula: C34H34Cl2Zr2-2 MolecularWeight: 695.98776

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Descriptors Computed from Structure

Canonical SMILES:

C[C-]=C.C[C-]=C.C1C=CC=[C-]1.C1C=CC=[C-]1.[CH-]1C=CC2=CC=CC=C21.[CH-]1C=CC2=CC=CC=C21.[Cl-].[Cl-].[Zr+3].[Zr+3]

Isomeric SMILES

C[C-]=C.C[C-]=C.C1C=CC=[C-]1.C1C=CC=[C-]1.[CH-]1C=CC2=CC=CC=C21.[CH-]1C=CC2=CC=CC=C21.[Cl-].[Cl-].[Zr+3].[Zr+3]

InChI

InChI=1S/2C9H7.2C5H5.2C3H5.2ClH.2Zr/c2*1-2-5-9-7-3-6-8(9)4-1;2*1-2-4-5-3-1;2*1-3-2;;;;/h2*1-7H;2*1-3H,4H2;2*1H2,2H3;2*1H;;/q6*-1;;;2*+3/p-2