[2-(aminomethyl)-1,3-dioxolan-2-yl]methanamine; 2,4,6-trinitrophenol

Systemtic Name: [2-(aminomethyl)-1,3-dioxolan-2-yl]methanamine; 2,4,6-trinitrophenol Openeye Name: [2-(aminomethyl)-1,3-dioxolan-2-yl]methanamine; picric acid CAS Name: [2-(aminomethyl)-1,3-dioxolan-2-yl]methanamine; 2,4,6-trinitrophenol IUPAC Name: [2-(aminomethyl)-1,3-dioxolan-2-yl]methanamine; 2,4,6-trinitrophenol Traditional Name: [2-(aminomethyl)-1,3-dioxolan-2-yl]methylamine; picric acid Formula: C17H18N8O16 MolecularWeight: 590.36882

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Descriptors Computed from Structure

Canonical SMILES:

C1COC(O1)(CN)CN.C1=C(C=C(C(=C1[N+](=O)[O-])O)[N+](=O)[O-])[N+](=O)[O-].C1=C(C=C(C(=C1[N+](=O)[O-])O)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

C1COC(O1)(CN)CN.C1=C(C=C(C(=C1[N+](=O)[O-])O)[N+](=O)[O-])[N+](=O)[O-].C1=C(C=C(C(=C1[N+](=O)[O-])O)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/2C6H3N3O7.C5H12N2O2/c2*10-6-4(8(13)14)1-3(7(11)12)2-5(6)9(15)16;6-3-5(4-7)8-1-2-9-5/h2*1-2,10H;1-4,6-7H2