3-nitrophenol; 1,2,3-trimethylcyclopenta-1,3-diene; zirconium

Systemtic Name: 3-nitrophenol; 1,2,3-trimethylcyclopenta-1,3-diene; zirconium Openeye Name: 3-nitrophenol; 1,2,3-trimethylcyclopenta-1,3-diene; zirconium CAS Name: 3-nitrophenol; 1,2,3-trimethylcyclopenta-1,3-diene; zirconium IUPAC Name: 3-nitrophenol; 1,2,3-trimethylcyclopenta-1,3-diene; zirconium Traditional Name: 3-nitrophenol; 1,2,3-trimethylcyclopenta-1,3-diene; zirconium Formula: C28H34N2O6Zr MolecularWeight: 585.80336

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC1)C)C.CC1=C(C(=CC1)C)C.C1=CC(=CC(=C1)O)[N+](=O)[O-].C1=CC(=CC(=C1)O)[N+](=O)[O-].[Zr]

Isomeric SMILES

CC1=C(C(=CC1)C)C.CC1=C(C(=CC1)C)C.C1=CC(=CC(=C1)O)[N+](=O)[O-].C1=CC(=CC(=C1)O)[N+](=O)[O-].[Zr]

InChI

InChI=1S/2C8H12.2C6H5NO3.Zr/c2*1-6-4-5-7(2)8(6)3;2*8-6-3-1-2-5(4-6)7(9)10;/h2*4H,5H2,1-3H3;2*1-4,8H;