cyclopenta-1,3-diene; 3-nitrophenol; zirconium(2+)

Systemtic Name: cyclopenta-1,3-diene; 3-nitrophenol; zirconium(2+) Openeye Name: cyclopenta-1,3-diene; 3-nitrophenol; zirconium(2+) CAS Name: cyclopenta-1,3-diene; 3-nitrophenol; zirconium(2+) IUPAC Name: cyclopenta-1,3-diene; 3-nitrophenol; zirconium(2+) Traditional Name: cyclopenta-1,3-diene; 3-nitrophenol; zirconium(2+) Formula: C22H20N2O6Zr MolecularWeight: 499.628

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Descriptors Computed from Structure

Canonical SMILES:

C1C=CC=[C-]1.C1C=CC=[C-]1.C1=CC(=CC(=C1)O)[N+](=O)[O-].C1=CC(=CC(=C1)O)[N+](=O)[O-].[Zr+2]

Isomeric SMILES

C1C=CC=[C-]1.C1C=CC=[C-]1.C1=CC(=CC(=C1)O)[N+](=O)[O-].C1=CC(=CC(=C1)O)[N+](=O)[O-].[Zr+2]

InChI

InChI=1S/2C6H5NO3.2C5H5.Zr/c2*8-6-3-1-2-5(4-6)7(9)10;2*1-2-4-5-3-1;/h2*1-4,8H;2*1-3H,4H2;/q;;2*-1;+2