4-methylbenzenesulfonic acid; (phenylmethyl) 3-oxidanylpyrrolidine-2-carboxylate

Systemtic Name: 4-methylbenzenesulfonic acid; (phenylmethyl) 3-oxidanylpyrrolidine-2-carboxylate Openeye Name: benzyl 3-hydroxypyrrolidine-2-carboxylate; 4-methylbenzenesulfonic acid CAS Name: 3-hydroxy-2-pyrrolidinecarboxylic acid (phenylmethyl) ester; 4-methylbenzenesulfonic acid IUPAC Name: benzyl 3-hydroxypyrrolidine-2-carboxylate; 4-methylbenzenesulfonic acid Traditional Name: 3-hydroxypyrrolidine-2-carboxylic acid benzyl ester; tosylic acid Formula: C19H23NO6S MolecularWeight: 393.45402

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)O.C1CNC(C1O)C(=O)OCC2=CC=CC=C2

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)O.C1CNC(C1O)C(=O)OCC2=CC=CC=C2

InChI

InChI=1S/C12H15NO3.C7H8O3S/c14-10-6-7-13-11(10)12(15)16-8-9-4-2-1-3-5-9;1-6-2-4-7(5-3-6)11(8,9)10/h1-5,10-11,13-14H,6-8H2;2-5H,1H3,(H,8,9,10)