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

Systemtic Name: [(1S)-1-[(4S)-2,2-dimethyl-5-oxidanylidene-1,3-dioxan-4-yl]-3-methyl-butyl] 3,5-dinitrobenzoate Openeye Name: [(1S)-1-[(4S)-2,2-dimethyl-5-oxo-1,3-dioxan-4-yl]-3-methyl-butyl] 3,5-dinitrobenzoate CAS Name: 3,5-dinitrobenzoic acid [(1S)-1-[(4S)-2,2-dimethyl-5-oxo-1,3-dioxan-4-yl]-3-methylbutyl] ester IUPAC Name: [(1S)-1-[(4S)-2,2-dimethyl-5-oxo-1,3-dioxan-4-yl]-3-methylbutyl] 3,5-dinitrobenzoate Traditional Name: 3,5-dinitrobenzoic acid [(1S)-1-[(4S)-5-keto-2,2-dimethyl-1,3-dioxan-4-yl]-3-methyl-butyl] ester Formula: C18H22N2O9 MolecularWeight: 410.37528

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC(C)C[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/C18H22N2O9/c1-10(2)5-15(16-14(21)9-27-18(3,4)29-16)28-17(22)11-6-12(19(23)24)8-13(7-11)20(25)26/h6-8,10,15-16H,5,9H2,1-4H3/t15-,16+/m0/s1