2,4-dimethyl-3-(2-oxidanylidenepyrrolidin-1-yl)benzenesulfonic acid hydrate

Systemtic Name: 2,4-dimethyl-3-(2-oxidanylidenepyrrolidin-1-yl)benzenesulfonic acid hydrate Openeye Name: 2,4-dimethyl-3-(2-oxopyrrolidin-1-yl)benzenesulfonic acid hydrate CAS Name: 2,4-dimethyl-3-(2-oxo-1-pyrrolidinyl)benzenesulfonic acid hydrate IUPAC Name: 2,4-dimethyl-3-(2-oxopyrrolidin-1-yl)benzenesulfonic acid hydrate Traditional Name: 3-(2-ketopyrrolidino)-2,4-dimethyl-besylic acid hydrate Formula: C12H17NO5S MolecularWeight: 287.33208

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(C=C1)S(=O)(=O)O)C)N2CCCC2=O.O

Isomeric SMILES

CC1=C(C(=C(C=C1)S(=O)(=O)O)C)N2CCCC2=O.O

InChI

InChI=1S/C12H15NO4S.H2O/c1-8-5-6-10(18(15,16)17)9(2)12(8)13-7-3-4-11(13)14;/h5-6H,3-4,7H2,1-2H3,(H,15,16,17);1H2