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

Systemtic Name: [5-nitro-1,3-bis(oxidanylidene)isoindol-2-yl] propane-2-sulfonate Openeye Name: (5-nitro-1,3-dioxo-isoindolin-2-yl) propane-2-sulfonate CAS Name: 2-propanesulfonic acid IUPAC Name: (5-nitro-1,3-dioxoisoindol-2-yl) propane-2-sulfonate Traditional Name: propane-2-sulfonic acid (1,3-diketo-5-nitro-isoindolin-2-yl) ester Formula: C11H10N2O7S MolecularWeight: 314.2713

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H10N2O7S/c1-6(2)21(18,19)20-12-10(14)8-4-3-7(13(16)17)5-9(8)11(12)15/h3-6H,1-2H3