2-(hydroxymethyl)-5-(2-nitrophenoxy)-6-sulfanyl-oxane-3,4-diol

Systemtic Name: 2-(hydroxymethyl)-5-(2-nitrophenoxy)-6-sulfanyl-oxane-3,4-diol Openeye Name: 2-(hydroxymethyl)-5-(2-nitrophenoxy)-6-sulfanyl-tetrahydropyran-3,4-diol CAS Name: 2-(hydroxymethyl)-6-mercapto-5-(2-nitrophenoxy)oxane-3,4-diol IUPAC Name: 2-(hydroxymethyl)-5-(2-nitrophenoxy)-6-sulfanyloxane-3,4-diol Traditional Name: 6-mercapto-2-methylol-5-(2-nitrophenoxy)tetrahydropyran-3,4-diol Formula: C12H15NO7S MolecularWeight: 317.315

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)[N+](=O)[O-])OC2C(C(C(OC2S)CO)O)O

Isomeric SMILES

C1=CC=C(C(=C1)[N+](=O)[O-])OC2C(C(C(OC2S)CO)O)O

InChI

InChI=1S/C12H15NO7S/c14-5-8-9(15)10(16)11(12(21)20-8)19-7-4-2-1-3-6(7)13(17)18/h1-4,8-12,14-16,21H,5H2