(2S,3R,4S,5S)-4-azido-2-(4-nitrophenyl)sulfanyl-thiane-3,5-diol

Systemtic Name: (2S,3R,4S,5S)-4-azido-2-(4-nitrophenyl)sulfanyl-thiane-3,5-diol Openeye Name: (2S,3R,4S,5S)-4-azido-2-(4-nitrophenyl)sulfanyl-tetrahydrothiopyran-3,5-diol CAS Name: (2S,3R,4S,5S)-4-azido-2-[(4-nitrophenyl)thio]thiane-3,5-diol IUPAC Name: (2S,3R,4S,5S)-4-azido-2-(4-nitrophenyl)sulfanylthiane-3,5-diol Traditional Name: (2S,3R,4S,5S)-4-azido-2-[(4-nitrophenyl)thio]tetrahydrothiopyran-3,5-diol Formula: C11H12N4O4S2 MolecularWeight: 328.36738

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C(C(C(C(S1)SC2=CC=C(C=C2)[N+](=O)[O-])O)N=[N+]=[N-])O

Isomeric SMILES

C1[C@H]([C@@H]([C@H]([C@@H](S1)SC2=CC=C(C=C2)[N+](=O)[O-])O)N=[N+]=[N-])O

InChI

InChI=1S/C11H12N4O4S2/c12-14-13-9-8(16)5-20-11(10(9)17)21-7-3-1-6(2-4-7)15(18)19/h1-4,8-11,16-17H,5H2/t8-,9+,10-,11+/m1/s1