1-oxidanylpyrrolidine-2,5-dione; 2,4,6-trimethylbenzenesulfonic acid

Systemtic Name: 1-oxidanylpyrrolidine-2,5-dione; 2,4,6-trimethylbenzenesulfonic acid Openeye Name: 1-hydroxypyrrolidine-2,5-dione; 2,4,6-trimethylbenzenesulfonic acid CAS Name: 1-hydroxypyrrolidine-2,5-dione; 2,4,6-trimethylbenzenesulfonic acid IUPAC Name: 1-hydroxypyrrolidine-2,5-dione; 2,4,6-trimethylbenzenesulfonic acid Traditional Name: 1-hydroxypyrrolidine-2,5-quinone; 2,4,6-trimethylbesylic acid Formula: C13H17NO6S MolecularWeight: 315.34218

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C)S(=O)(=O)O)C.C1CC(=O)N(C1=O)O

Isomeric SMILES

CC1=CC(=C(C(=C1)C)S(=O)(=O)O)C.C1CC(=O)N(C1=O)O

InChI

InChI=1S/C9H12O3S.C4H5NO3/c1-6-4-7(2)9(8(3)5-6)13(10,11)12;6-3-1-2-4(7)5(3)8/h4-5H,1-3H3,(H,10,11,12);8H,1-2H2