6-(hydroxymethyl)-3-(2-methyl-4,6-dinitro-phenoxy)oxane-2,4,5-triol

Systemtic Name: 6-(hydroxymethyl)-3-(2-methyl-4,6-dinitro-phenoxy)oxane-2,4,5-triol Openeye Name: 6-(hydroxymethyl)-3-(2-methyl-4,6-dinitro-phenoxy)tetrahydropyran-2,4,5-triol CAS Name: 6-(hydroxymethyl)-3-(2-methyl-4,6-dinitrophenoxy)oxane-2,4,5-triol IUPAC Name: 6-(hydroxymethyl)-3-(2-methyl-4,6-dinitrophenoxy)oxane-2,4,5-triol Traditional Name: 3-(2-methyl-4,6-dinitro-phenoxy)-6-methylol-tetrahydropyran-2,4,5-triol Formula: C13H16N2O10 MolecularWeight: 360.27354

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1OC2C(C(C(OC2O)CO)O)O)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=CC(=C1OC2C(C(C(OC2O)CO)O)O)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C13H16N2O10/c1-5-2-6(14(20)21)3-7(15(22)23)11(5)25-12-10(18)9(17)8(4-16)24-13(12)19/h2-3,8-10,12-13,16-19H,4H2,1H3