[(1S,2R,5S,6R)-6,7-diacetyloxy-2,5-diazido-cyclohept-3-en-1-yl] ethanoate

Systemtic Name: [(1S,2R,5S,6R)-6,7-diacetyloxy-2,5-diazido-cyclohept-3-en-1-yl] ethanoate Openeye Name: [(1S,2R,5S,6R)-6,7-diacetoxy-2,5-diazido-cyclohept-3-en-1-yl] acetate CAS Name: acetic acid [(1S,2R,5S,6R)-6,7-diacetyloxy-2,5-diazido-1-cyclohept-3-enyl] ester IUPAC Name: [(1S,2R,5S,6R)-6,7-diacetyloxy-2,5-diazidocyclohept-3-en-1-yl] acetate Traditional Name: acetic acid [(1S,2R,5S,6R)-6,7-diacetoxy-2,5-diazido-cyclohept-3-en-1-yl] ester Formula: C13H16N6O6 MolecularWeight: 352.30274

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1C(C=CC(C(C1OC(=O)C)OC(=O)C)N=[N+]=[N-])N=[N+]=[N-]

Isomeric SMILES

CC(=O)O[C@H]1[C@@H](C=C[C@@H]([C@H](C1OC(=O)C)OC(=O)C)N=[N+]=[N-])N=[N+]=[N-]

InChI

InChI=1S/C13H16N6O6/c1-6(20)23-11-9(16-18-14)4-5-10(17-19-15)12(24-7(2)21)13(11)25-8(3)22/h4-5,9-13H,1-3H3/t9-,10+,11+,12-,13?