4-methylbenzenesulfonic acid; (2S,3R)-3-methyl-3-oxidanyl-pyrrolidine-2-carboxylic acid

Systemtic Name: 4-methylbenzenesulfonic acid; (2S,3R)-3-methyl-3-oxidanyl-pyrrolidine-2-carboxylic acid Openeye Name: (2S,3R)-3-hydroxy-3-methyl-pyrrolidine-2-carboxylic acid; 4-methylbenzenesulfonic acid CAS Name: (2S,3R)-3-hydroxy-3-methyl-2-pyrrolidinecarboxylic acid; 4-methylbenzenesulfonic acid IUPAC Name: (2S,3R)-3-hydroxy-3-methylpyrrolidine-2-carboxylic acid; 4-methylbenzenesulfonic acid Traditional Name: (2S,3R)-3-hydroxy-3-methyl-proline; tosylic acid Formula: C13H19NO6S MolecularWeight: 317.35806

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)O.CC1(CCNC1C(=O)O)O

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)O.C[C@]1(CCN[C@@H]1C(=O)O)O

InChI

InChI=1S/C7H8O3S.C6H11NO3/c1-6-2-4-7(5-3-6)11(8,9)10;1-6(10)2-3-7-4(6)5(8)9/h2-5H,1H3,(H,8,9,10);4,7,10H,2-3H2,1H3,(H,8,9)/t;4-,6-/m.1/s1