(2S,3R,4S,5R,6R)-2-[5-(diethylamino)-2,4-dinitro-phenyl]sulfanyl-6-(hydroxymethyl)oxane-3,4,5-triol

Systemtic Name: (2S,3R,4S,5R,6R)-2-[5-(diethylamino)-2,4-dinitro-phenyl]sulfanyl-6-(hydroxymethyl)oxane-3,4,5-triol Openeye Name: (2S,3R,4S,5R,6R)-2-[5-(diethylamino)-2,4-dinitro-phenyl]sulfanyl-6-(hydroxymethyl)tetrahydropyran-3,4,5-triol CAS Name: (2S,3R,4S,5R,6R)-2-[[5-(diethylamino)-2,4-dinitrophenyl]thio]-6-(hydroxymethyl)oxane-3,4,5-triol IUPAC Name: (2S,3R,4S,5R,6R)-2-[5-(diethylamino)-2,4-dinitrophenyl]sulfanyl-6-(hydroxymethyl)oxane-3,4,5-triol Traditional Name: (2S,3R,4S,5R,6R)-2-[[5-(diethylamino)-2,4-dinitro-phenyl]thio]-6-methylol-tetrahydropyran-3,4,5-triol Formula: C16H23N3O9S MolecularWeight: 433.43352

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C1=CC(=C(C=C1[N+](=O)[O-])[N+](=O)[O-])SC2C(C(C(C(O2)CO)O)O)O

Isomeric SMILES

CCN(CC)C1=CC(=C(C=C1[N+](=O)[O-])[N+](=O)[O-])S[C@H]2[C@@H]([C@H]([C@H]([C@H](O2)CO)O)O)O

InChI

InChI=1S/C16H23N3O9S/c1-3-17(4-2)8-6-12(10(19(26)27)5-9(8)18(24)25)29-16-15(23)14(22)13(21)11(7-20)28-16/h5-6,11,13-16,20-23H,3-4,7H2,1-2H3/t11-,13+,14+,15-,16+/m1/s1