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

Systemtic Name: [5-methyl-1,3-bis(oxidanylidene)isoindol-2-yl] propane-2-sulfonate Openeye Name: (5-methyl-1,3-dioxo-isoindolin-2-yl) propane-2-sulfonate CAS Name: 2-propanesulfonic acid IUPAC Name: (5-methyl-1,3-dioxoisoindol-2-yl) propane-2-sulfonate Traditional Name: propane-2-sulfonic acid (1,3-diketo-5-methyl-isoindolin-2-yl) ester Formula: C12H13NO5S MolecularWeight: 283.30032

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)C(=O)N(C2=O)OS(=O)(=O)C(C)C

Isomeric SMILES

CC1=CC2=C(C=C1)C(=O)N(C2=O)OS(=O)(=O)C(C)C

InChI

InChI=1S/C12H13NO5S/c1-7(2)19(16,17)18-13-11(14)9-5-4-8(3)6-10(9)12(13)15/h4-7H,1-3H3