[(1S)-2-acetyloxy-1-[(4S)-2,2-dimethyl-5-oxidanylidene-1,3-dioxan-4-yl]ethyl] 3,5-dinitrobenzoate

Systemtic Name: [(1S)-2-acetyloxy-1-[(4S)-2,2-dimethyl-5-oxidanylidene-1,3-dioxan-4-yl]ethyl] 3,5-dinitrobenzoate Openeye Name: [(1S)-2-acetoxy-1-[(4S)-2,2-dimethyl-5-oxo-1,3-dioxan-4-yl]ethyl] 3,5-dinitrobenzoate CAS Name: 3,5-dinitrobenzoic acid [(1S)-2-acetyloxy-1-[(4S)-2,2-dimethyl-5-oxo-1,3-dioxan-4-yl]ethyl] ester IUPAC Name: [(1S)-2-acetyloxy-1-[(4S)-2,2-dimethyl-5-oxo-1,3-dioxan-4-yl]ethyl] 3,5-dinitrobenzoate Traditional Name: 3,5-dinitrobenzoic acid [(1S)-2-acetoxy-1-[(4S)-5-keto-2,2-dimethyl-1,3-dioxan-4-yl]ethyl] ester Formula: C17H18N2O11 MolecularWeight: 426.33162

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OCC(C1C(=O)COC(O1)(C)C)OC(=O)C2=CC(=CC(=C2)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CC(=O)OC[C@@H]([C@H]1C(=O)COC(O1)(C)C)OC(=O)C2=CC(=CC(=C2)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C17H18N2O11/c1-9(20)27-8-14(15-13(21)7-28-17(2,3)30-15)29-16(22)10-4-11(18(23)24)6-12(5-10)19(25)26/h4-6,14-15H,7-8H2,1-3H3/t14-,15+/m0/s1