cyclopenta-1,3-diene; 1H-indeno[1,2-b]indol-1-ide; zirconium(2+); dichloride

Systemtic Name: cyclopenta-1,3-diene; 1H-indeno[1,2-b]indol-1-ide; zirconium(2+); dichloride Openeye Name: cyclopenta-1,3-diene; 1H-indeno[1,2-b]indol-1-ide; zirconium(2+); dichloride CAS Name: cyclopenta-1,3-diene; 1H-indeno[1,2-b]indol-1-ide; zirconium(2+); dichloride IUPAC Name: cyclopenta-1,3-diene; 1H-indeno[1,2-b]indol-1-ide; zirconium(2+); dichloride Traditional Name: cyclopenta-1,3-diene; 1H-inden[1,2-b]indol-1-ide; zirconium(2+); dichloride Formula: C40H26Cl2N2Zr2-2 MolecularWeight: 788.00184

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Descriptors Computed from Structure

Canonical SMILES:

C1C=CC=[C-]1.C1C=CC=[C-]1.C1=CC=C2C(=C1)C3=CC4=C(C3=N2)C=CC=[C-]4.C1=CC=C2C(=C1)C3=CC4=C(C3=N2)C=CC=[C-]4.[Cl-].[Cl-].[Zr+2].[Zr+2]

Isomeric SMILES

C1C=CC=[C-]1.C1C=CC=[C-]1.C1=CC=C2C(=C1)C3=CC4=C(C3=N2)C=CC=[C-]4.C1=CC=C2C(=C1)C3=CC4=C(C3=N2)C=CC=[C-]4.[Cl-].[Cl-].[Zr+2].[Zr+2]

InChI

InChI=1S/2C15H8N.2C5H5.2ClH.2Zr/c2*1-2-6-11-10(5-1)9-13-12-7-3-4-8-14(12)16-15(11)13;2*1-2-4-5-3-1;;;;/h2*1-4,6-9H;2*1-3H,4H2;2*1H;;/q4*-1;;;2*+2/p-2