(5S)-5-(hydroxymethyl)pyrrolidin-2-one; 4-methylbenzenesulfonic acid

Systemtic Name: (5S)-5-(hydroxymethyl)pyrrolidin-2-one; 4-methylbenzenesulfonic acid Openeye Name: (5S)-5-(hydroxymethyl)pyrrolidin-2-one; 4-methylbenzenesulfonic acid CAS Name: (5S)-5-(hydroxymethyl)-2-pyrrolidinone; 4-methylbenzenesulfonic acid IUPAC Name: (5S)-5-(hydroxymethyl)pyrrolidin-2-one; 4-methylbenzenesulfonic acid Traditional Name: (5S)-5-methylol-2-pyrrolidone; tosylic acid Formula: C12H17NO5S MolecularWeight: 287.33208

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)O.C1CC(=O)NC1CO

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)O.C1CC(=O)N[C@@H]1CO

InChI

InChI=1S/C7H8O3S.C5H9NO2/c1-6-2-4-7(5-3-6)11(8,9)10;7-3-4-1-2-5(8)6-4/h2-5H,1H3,(H,8,9,10);4,7H,1-3H2,(H,6,8)/t;4-/m.0/s1