cyclopenta-1,3-diene; 2-methyl-1,4-dihydroazulen-1-ide; zirconium(3+); dichloride

Systemtic Name: cyclopenta-1,3-diene; 2-methyl-1,4-dihydroazulen-1-ide; zirconium(3+); dichloride Openeye Name: cyclopenta-1,3-diene; 2-methyl-1,4-dihydroazulen-1-ide; zirconium(3+); dichloride CAS Name: cyclopenta-1,3-diene; 2-methyl-1,4-dihydroazulen-1-ide; zirconium(3+); dichloride IUPAC Name: cyclopenta-1,3-diene; 2-methyl-1,4-dihydroazulen-1-ide; zirconium(3+); dichloride Traditional Name: cyclopenta-1,3-diene; 2-methyl-1,4-dihydroazulen-1-ide; zirconium(3+); dichloride Formula: C27H27Cl2Zr-2 MolecularWeight: 513.63328

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C([CH-]1)C=CC=CC2.CC1=CC2=C([CH-]1)C=CC=CC2.C1C=CC=[C-]1.[Cl-].[Cl-].[Zr+3]

Isomeric SMILES

CC1=CC2=C([CH-]1)C=CC=CC2.CC1=CC2=C([CH-]1)C=CC=CC2.C1C=CC=[C-]1.[Cl-].[Cl-].[Zr+3]

InChI

InChI=1S/2C11H11.C5H5.2ClH.Zr/c2*1-9-7-10-5-3-2-4-6-11(10)8-9;1-2-4-5-3-1;;;/h2*2-5,7-8H,6H2,1H3;1-3H,4H2;2*1H;/q3*-1;;;+3/p-2