[5-nitro-1,3-bis(oxidanylidene)isoindol-2-yl] methanesulfonate

Systemtic Name: [5-nitro-1,3-bis(oxidanylidene)isoindol-2-yl] methanesulfonate Openeye Name: (5-nitro-1,3-dioxo-isoindolin-2-yl) methanesulfonate CAS Name: methanesulfonic acid (5-nitro-1,3-dioxo-2-isoindolyl) ester IUPAC Name: (5-nitro-1,3-dioxoisoindol-2-yl) methanesulfonate Traditional Name: methanesulfonic acid (1,3-diketo-5-nitro-isoindolin-2-yl) ester Formula: C9H6N2O7S MolecularWeight: 286.21814

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)ON1C(=O)C2=C(C1=O)C=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

CS(=O)(=O)ON1C(=O)C2=C(C1=O)C=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C9H6N2O7S/c1-19(16,17)18-10-8(12)6-3-2-5(11(14)15)4-7(6)9(10)13/h2-4H,1H3