[(2S,3R)-3-(5-methylhexyl)oxiran-2-yl]methyl 3,5-dinitrobenzoate

Systemtic Name: [(2S,3R)-3-(5-methylhexyl)oxiran-2-yl]methyl 3,5-dinitrobenzoate Openeye Name: [(2S,3R)-3-(5-methylhexyl)oxiran-2-yl]methyl 3,5-dinitrobenzoate CAS Name: 3,5-dinitrobenzoic acid [(2S,3R)-3-(5-methylhexyl)-2-oxiranyl]methyl ester IUPAC Name: [(2S,3R)-3-(5-methylhexyl)oxiran-2-yl]methyl 3,5-dinitrobenzoate Traditional Name: 3,5-dinitrobenzoic acid [(2S,3R)-3-(5-methylhexyl)oxiran-2-yl]methyl ester Formula: C17H22N2O7 MolecularWeight: 366.36578

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCCCC1C(O1)COC(=O)C2=CC(=CC(=C2)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C17H22N2O7/c1-11(2)5-3-4-6-15-16(26-15)10-25-17(20)12-7-13(18(21)22)9-14(8-12)19(23)24/h7-9,11,15-16H,3-6,10H2,1-2H3/t15-,16+/m1/s1