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

Systemtic Name: (2S,3R,4S,5R,6R)-2-(2,4-dinitro-5-phenylazanyl-phenyl)sulfanyl-6-(hydroxymethyl)oxane-3,4,5-triol Openeye Name: (2S,3R,4S,5R,6R)-2-(5-anilino-2,4-dinitro-phenyl)sulfanyl-6-(hydroxymethyl)tetrahydropyran-3,4,5-triol CAS Name: (2S,3R,4S,5R,6R)-2-[(5-anilino-2,4-dinitrophenyl)thio]-6-(hydroxymethyl)oxane-3,4,5-triol IUPAC Name: (2S,3R,4S,5R,6R)-2-(5-anilino-2,4-dinitrophenyl)sulfanyl-6-(hydroxymethyl)oxane-3,4,5-triol Traditional Name: (2S,3R,4S,5R,6R)-2-[(5-anilino-2,4-dinitro-phenyl)thio]-6-methylol-tetrahydropyran-3,4,5-triol Formula: C18H19N3O9S MolecularWeight: 453.42316

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)NC2=CC(=C(C=C2[N+](=O)[O-])[N+](=O)[O-])SC3C(C(C(C(O3)CO)O)O)O

Isomeric SMILES

C1=CC=C(C=C1)NC2=CC(=C(C=C2[N+](=O)[O-])[N+](=O)[O-])S[C@H]3[C@@H]([C@H]([C@H]([C@H](O3)CO)O)O)O

InChI

InChI=1S/C18H19N3O9S/c22-8-13-15(23)16(24)17(25)18(30-13)31-14-6-10(19-9-4-2-1-3-5-9)11(20(26)27)7-12(14)21(28)29/h1-7,13,15-19,22-25H,8H2/t13-,15+,16+,17-,18+/m1/s1