(5S,6R,7S)-8-azido-5,6,7-tris(oxidanyl)-4-oxidanylidene-octanenitrile

Systemtic Name: (5S,6R,7S)-8-azido-5,6,7-tris(oxidanyl)-4-oxidanylidene-octanenitrile Openeye Name: (5S,6R,7S)-8-azido-5,6,7-trihydroxy-4-oxo-octanenitrile CAS Name: (5S,6R,7S)-8-azido-5,6,7-trihydroxy-4-oxooctanenitrile IUPAC Name: (5S,6R,7S)-8-azido-5,6,7-trihydroxy-4-oxooctanenitrile Traditional Name: (5S,6R,7S)-8-azido-5,6,7-trihydroxy-4-keto-caprylonitrile Formula: C8H12N4O4 MolecularWeight: 228.20528

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C(CC(=O)C(C(C(CN=[N+]=[N-])O)O)O)C#N

Isomeric SMILES

C(CC(=O)[C@H]([C@@H]([C@H](CN=[N+]=[N-])O)O)O)C#N

InChI

InChI=1S/C8H12N4O4/c9-3-1-2-5(13)7(15)8(16)6(14)4-11-12-10/h6-8,14-16H,1-2,4H2/t6-,7+,8+/m0/s1