(4,6-dinitro-2-oxidanylidene-1,3-benzoxathiol-5-yl) methyl carbonate

Systemtic Name: (4,6-dinitro-2-oxidanylidene-1,3-benzoxathiol-5-yl) methyl carbonate Openeye Name: (4,6-dinitro-2-oxo-1,3-benzoxathiol-5-yl) methyl carbonate CAS Name: carbonic acid (4,6-dinitro-2-oxo-1,3-benzoxathiol-5-yl) methyl ester IUPAC Name: (4,6-dinitro-2-oxo-1,3-benzoxathiol-5-yl) methyl carbonate Traditional Name: carbonic acid (2-keto-4,6-dinitro-1,3-benzoxathiol-5-yl) methyl ester Formula: C9H4N2O9S MolecularWeight: 316.20106

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)OC1=C(C2=C(C=C1[N+](=O)[O-])OC(=O)S2)[N+](=O)[O-]

Isomeric SMILES

COC(=O)OC1=C(C2=C(C=C1[N+](=O)[O-])OC(=O)S2)[N+](=O)[O-]

InChI

InChI=1S/C9H4N2O9S/c1-18-8(12)20-6-3(10(14)15)2-4-7(5(6)11(16)17)21-9(13)19-4/h2H,1H3