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

Systemtic Name: [(S)-cyclopentyl-[(4S)-2,2-dimethyl-5-oxidanylidene-1,3-dioxan-4-yl]methyl] 3,5-dinitrobenzoate Openeye Name: [(S)-cyclopentyl-[(4S)-2,2-dimethyl-5-oxo-1,3-dioxan-4-yl]methyl] 3,5-dinitrobenzoate CAS Name: 3,5-dinitrobenzoic acid [(S)-cyclopentyl-[(4S)-2,2-dimethyl-5-oxo-1,3-dioxan-4-yl]methyl] ester IUPAC Name: [(S)-cyclopentyl-[(4S)-2,2-dimethyl-5-oxo-1,3-dioxan-4-yl]methyl] 3,5-dinitrobenzoate Traditional Name: 3,5-dinitrobenzoic acid [(S)-cyclopentyl-[(4S)-5-keto-2,2-dimethyl-1,3-dioxan-4-yl]methyl] ester Formula: C19H22N2O9 MolecularWeight: 422.38598

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Descriptors Computed from Structure

Canonical SMILES:

CC1(OCC(=O)C(O1)C(C2CCCC2)OC(=O)C3=CC(=CC(=C3)[N+](=O)[O-])[N+](=O)[O-])C

Isomeric SMILES

CC1(OCC(=O)[C@@H](O1)[C@H](C2CCCC2)OC(=O)C3=CC(=CC(=C3)[N+](=O)[O-])[N+](=O)[O-])C

InChI

InChI=1S/C19H22N2O9/c1-19(2)28-10-15(22)17(30-19)16(11-5-3-4-6-11)29-18(23)12-7-13(20(24)25)9-14(8-12)21(26)27/h7-9,11,16-17H,3-6,10H2,1-2H3/t16-,17+/m0/s1