2-methoxyphenol; 2,4,6-trinitrophenol

Systemtic Name: 2-methoxyphenol; 2,4,6-trinitrophenol Openeye Name: 2-methoxyphenol; picric acid CAS Name: 2-methoxyphenol; 2,4,6-trinitrophenol IUPAC Name: 2-methoxyphenol; 2,4,6-trinitrophenol Traditional Name: guaiacol; picric acid Formula: C13H11N3O9 MolecularWeight: 353.24114

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1O.C1=C(C=C(C(=C1[N+](=O)[O-])O)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

COC1=CC=CC=C1O.C1=C(C=C(C(=C1[N+](=O)[O-])O)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C7H8O2.C6H3N3O7/c1-9-7-5-3-2-4-6(7)8;10-6-4(8(13)14)1-3(7(11)12)2-5(6)9(15)16/h2-5,8H,1H3;1-2,10H