6-(hydroxymethyl)-3-(2-nitrophenoxy)-4,5-bis(oxidanyl)oxane-2-thiolate

Systemtic Name: 6-(hydroxymethyl)-3-(2-nitrophenoxy)-4,5-bis(oxidanyl)oxane-2-thiolate Openeye Name: 4,5-dihydroxy-6-(hydroxymethyl)-3-(2-nitrophenoxy)tetrahydropyran-2-thiolate CAS Name: 4,5-dihydroxy-6-(hydroxymethyl)-3-(2-nitrophenoxy)-2-oxanethiolate IUPAC Name: 4,5-dihydroxy-6-(hydroxymethyl)-3-(2-nitrophenoxy)oxane-2-thiolate Traditional Name: 4,5-dihydroxy-6-methylol-3-(2-nitrophenoxy)tetrahydropyran-2-thiolate Formula: C12H14NO7S- MolecularWeight: 316.30706

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)[N+](=O)[O-])OC2C(C(C(OC2[S-])CO)O)O

Isomeric SMILES

C1=CC=C(C(=C1)[N+](=O)[O-])OC2C(C(C(OC2[S-])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/p-1