(3,5-dinitrophenyl) 6-hexyl-2-oxidanylidene-oxane-3-carboxylate

Systemtic Name: (3,5-dinitrophenyl) 6-hexyl-2-oxidanylidene-oxane-3-carboxylate Openeye Name: (3,5-dinitrophenyl) 6-hexyl-2-oxo-tetrahydropyran-3-carboxylate CAS Name: 6-hexyl-2-oxo-3-oxanecarboxylic acid (3,5-dinitrophenyl) ester IUPAC Name: (3,5-dinitrophenyl) 6-hexyl-2-oxooxane-3-carboxylate Traditional Name: 6-hexyl-2-keto-tetrahydropyran-3-carboxylic acid (3,5-dinitrophenyl) ester Formula: C18H22N2O8 MolecularWeight: 394.37588

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1CCC(C(=O)O1)C(=O)OC2=CC(=CC(=C2)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CCCCCCC1CCC(C(=O)O1)C(=O)OC2=CC(=CC(=C2)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C18H22N2O8/c1-2-3-4-5-6-14-7-8-16(17(21)27-14)18(22)28-15-10-12(19(23)24)9-13(11-15)20(25)26/h9-11,14,16H,2-8H2,1H3