[(2R,3S,4R,5S)-2,3,4,5-tetraacetyloxy-5-[(1S,2R,3S)-2-nitro-3-oxidanyl-cyclohexyl]pentyl] ethanoate

Systemtic Name: [(2R,3S,4R,5S)-2,3,4,5-tetraacetyloxy-5-[(1S,2R,3S)-2-nitro-3-oxidanyl-cyclohexyl]pentyl] ethanoate Openeye Name: [(2R,3S,4R,5S)-2,3,4,5-tetraacetoxy-5-[(1S,2R,3S)-3-hydroxy-2-nitro-cyclohexyl]pentyl] acetate CAS Name: acetic acid [(2R,3S,4R,5S)-2,3,4,5-tetraacetyloxy-5-[(1S,2R,3S)-3-hydroxy-2-nitrocyclohexyl]pentyl] ester IUPAC Name: [(2R,3S,4R,5S)-2,3,4,5-tetraacetyloxy-5-[(1S,2R,3S)-3-hydroxy-2-nitrocyclohexyl]pentyl] acetate Traditional Name: acetic acid [(2R,3S,4R,5S)-2,3,4,5-tetraacetoxy-5-[(1S,2R,3S)-3-hydroxy-2-nitro-cyclohexyl]pentyl] ester Formula: C21H31NO13 MolecularWeight: 505.46974

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OCC(C(C(C(C1CCCC(C1[N+](=O)[O-])O)OC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C

Isomeric SMILES

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

InChI

InChI=1S/C21H31NO13/c1-10(23)31-9-17(32-11(2)24)20(34-13(4)26)21(35-14(5)27)19(33-12(3)25)15-7-6-8-16(28)18(15)22(29)30/h15-21,28H,6-9H2,1-5H3/t15-,16-,17+,18+,19-,20-,21+/m0/s1