cyanomethyl 2,4-dinitrobenzenesulfonate

Systemtic Name: cyanomethyl 2,4-dinitrobenzenesulfonate Openeye Name: cyanomethyl 2,4-dinitrobenzenesulfonate CAS Name: 2,4-dinitrobenzenesulfonic acid cyanomethyl ester IUPAC Name: cyanomethyl 2,4-dinitrobenzenesulfonate Traditional Name: 2,4-dinitrobenzenesulfonic acid cyanomethyl ester Formula: C8H5N3O7S MolecularWeight: 287.2062

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1[N+](=O)[O-])[N+](=O)[O-])S(=O)(=O)OCC#N

Isomeric SMILES

C1=CC(=C(C=C1[N+](=O)[O-])[N+](=O)[O-])S(=O)(=O)OCC#N

InChI

InChI=1S/C8H5N3O7S/c9-3-4-18-19(16,17)8-2-1-6(10(12)13)5-7(8)11(14)15/h1-2,5H,4H2