9-nitro-3-oxidanyl-phenanthrene-2-carboxylic acid; zirconium

Systemtic Name: 9-nitro-3-oxidanyl-phenanthrene-2-carboxylic acid; zirconium Openeye Name: 3-hydroxy-9-nitro-phenanthrene-2-carboxylic acid; zirconium CAS Name: 3-hydroxy-9-nitro-2-phenanthrenecarboxylic acid; zirconium IUPAC Name: 3-hydroxy-9-nitrophenanthrene-2-carboxylic acid; zirconium Traditional Name: 3-hydroxy-9-nitro-phenanthrene-2-carboxylic acid; zirconium Formula: C30H18N2O10Zr MolecularWeight: 657.69532

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C3=CC(=C(C=C3C=C2[N+](=O)[O-])C(=O)O)O.C1=CC=C2C(=C1)C3=CC(=C(C=C3C=C2[N+](=O)[O-])C(=O)O)O.[Zr]

Isomeric SMILES

C1=CC=C2C(=C1)C3=CC(=C(C=C3C=C2[N+](=O)[O-])C(=O)O)O.C1=CC=C2C(=C1)C3=CC(=C(C=C3C=C2[N+](=O)[O-])C(=O)O)O.[Zr]

InChI

InChI=1S/2C15H9NO5.Zr/c2*17-14-7-11-8(5-12(14)15(18)19)6-13(16(20)21)10-4-2-1-3-9(10)11;/h2*1-7,17H,(H,18,19);