2-methyl-4,6-dinitro-benzene-1,3-diol; 2-nitrobenzene-1,3-diol

Systemtic Name: 2-methyl-4,6-dinitro-benzene-1,3-diol; 2-nitrobenzene-1,3-diol Openeye Name: 2-methyl-4,6-dinitro-benzene-1,3-diol; 2-nitrobenzene-1,3-diol CAS Name: 2-methyl-4,6-dinitrobenzene-1,3-diol; 2-nitrobenzene-1,3-diol IUPAC Name: 2-methyl-4,6-dinitrobenzene-1,3-diol; 2-nitrobenzene-1,3-diol Traditional Name: 2-methyl-4,6-dinitro-resorcinol; 2-nitroresorcinol Formula: C13H11N3O10 MolecularWeight: 369.24054

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC(=C1O)[N+](=O)[O-])[N+](=O)[O-])O.C1=CC(=C(C(=C1)O)[N+](=O)[O-])O

Isomeric SMILES

CC1=C(C(=CC(=C1O)[N+](=O)[O-])[N+](=O)[O-])O.C1=CC(=C(C(=C1)O)[N+](=O)[O-])O

InChI

InChI=1S/C7H6N2O6.C6H5NO4/c1-3-6(10)4(8(12)13)2-5(7(3)11)9(14)15;8-4-2-1-3-5(9)6(4)7(10)11/h2,10-11H,1H3;1-3,8-9H