4-methylbenzene-1,2-diol; 4-nitrobenzene-1,2-diol; zirconium

Systemtic Name: 4-methylbenzene-1,2-diol; 4-nitrobenzene-1,2-diol; zirconium Openeye Name: 4-methylbenzene-1,2-diol; 4-nitrobenzene-1,2-diol; zirconium CAS Name: 4-methylbenzene-1,2-diol; 4-nitrobenzene-1,2-diol; zirconium IUPAC Name: 4-methylbenzene-1,2-diol; 4-nitrobenzene-1,2-diol; zirconium Traditional Name: 4-methylpyrocatechol; 4-nitropyrocatechol; zirconium Formula: C13H13NO6Zr MolecularWeight: 370.46942

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C7H8O2.C6H5NO4.Zr/c1-5-2-3-6(8)7(9)4-5;8-5-2-1-4(7(10)11)3-6(5)9;/h2-4,8-9H,1H3;1-3,8-9H;