(4-methoxyphenyl)methyl (2S,4R)-2-(hydroxymethyl)-4-oxidanyl-pyrrolidine-1-carboxylate; 4-methylbenzenesulfonic acid

Systemtic Name: (4-methoxyphenyl)methyl (2S,4R)-2-(hydroxymethyl)-4-oxidanyl-pyrrolidine-1-carboxylate; 4-methylbenzenesulfonic acid Openeye Name: (4-methoxyphenyl)methyl (2S,4R)-4-hydroxy-2-(hydroxymethyl)pyrrolidine-1-carboxylate; 4-methylbenzenesulfonic acid CAS Name: (2S,4R)-4-hydroxy-2-(hydroxymethyl)-1-pyrrolidinecarboxylic acid (4-methoxyphenyl)methyl ester; 4-methylbenzenesulfonic acid IUPAC Name: (4-methoxyphenyl)methyl (2S,4R)-4-hydroxy-2-(hydroxymethyl)pyrrolidine-1-carboxylate; 4-methylbenzenesulfonic acid Traditional Name: (2S,4R)-4-hydroxy-2-methylol-pyrrolidine-1-carboxylic acid p-anisyl ester; tosylic acid Formula: C21H27NO8S MolecularWeight: 453.50598

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)O.COC1=CC=C(C=C1)COC(=O)N2CC(CC2CO)O

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)O.COC1=CC=C(C=C1)COC(=O)N2C[C@@H](C[C@H]2CO)O

InChI

InChI=1S/C14H19NO5.C7H8O3S/c1-19-13-4-2-10(3-5-13)9-20-14(18)15-7-12(17)6-11(15)8-16;1-6-2-4-7(5-3-6)11(8,9)10/h2-5,11-12,16-17H,6-9H2,1H3;2-5H,1H3,(H,8,9,10)/t11-,12+;/m0./s1