[(1R,4R,5R,6S,7S)-6,7-diacetyloxy-4,5-diazido-cyclohept-2-en-1-yl] ethanoate

Systemtic Name: [(1R,4R,5R,6S,7S)-6,7-diacetyloxy-4,5-diazido-cyclohept-2-en-1-yl] ethanoate Openeye Name: [(1R,4R,5R,6S,7S)-6,7-diacetoxy-4,5-diazido-cyclohept-2-en-1-yl] acetate CAS Name: acetic acid [(1R,4R,5R,6S,7S)-6,7-diacetyloxy-4,5-diazido-1-cyclohept-2-enyl] ester IUPAC Name: [(1R,4R,5R,6S,7S)-6,7-diacetyloxy-4,5-diazidocyclohept-2-en-1-yl] acetate Traditional Name: acetic acid [(1R,4R,5R,6S,7S)-6,7-diacetoxy-4,5-diazido-cyclohept-2-en-1-yl] ester Formula: C13H16N6O6 MolecularWeight: 352.30274

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H16N6O6/c1-6(20)23-10-5-4-9(16-18-14)11(17-19-15)13(25-8(3)22)12(10)24-7(2)21/h4-5,9-13H,1-3H3/t9-,10-,11-,12+,13+/m1/s1