2-(hydroxymethyl)-6-(2,3,4-trinitrophenoxy)oxane-3,4,5-triol

Systemtic Name: 2-(hydroxymethyl)-6-(2,3,4-trinitrophenoxy)oxane-3,4,5-triol Openeye Name: 2-(hydroxymethyl)-6-(2,3,4-trinitrophenoxy)tetrahydropyran-3,4,5-triol CAS Name: 2-(hydroxymethyl)-6-(2,3,4-trinitrophenoxy)oxane-3,4,5-triol IUPAC Name: 2-(hydroxymethyl)-6-(2,3,4-trinitrophenoxy)oxane-3,4,5-triol Traditional Name: 2-methylol-6-(2,3,4-trinitrophenoxy)tetrahydropyran-3,4,5-triol Formula: C12H13N3O12 MolecularWeight: 391.24452

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C(=C1[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-])OC2C(C(C(C(O2)CO)O)O)O

Isomeric SMILES

C1=CC(=C(C(=C1[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-])OC2C(C(C(C(O2)CO)O)O)O

InChI

InChI=1S/C12H13N3O12/c16-3-6-9(17)10(18)11(19)12(27-6)26-5-2-1-4(13(20)21)7(14(22)23)8(5)15(24)25/h1-2,6,9-12,16-19H,3H2