4-methylbenzenesulfonic acid; (phenylmethyl) 4-azanylbutanoate

Systemtic Name: 4-methylbenzenesulfonic acid; (phenylmethyl) 4-azanylbutanoate Openeye Name: benzyl 4-aminobutanoate; 4-methylbenzenesulfonic acid CAS Name: 4-aminobutanoic acid (phenylmethyl) ester; 4-methylbenzenesulfonic acid IUPAC Name: benzyl 4-aminobutanoate; 4-methylbenzenesulfonic acid Traditional Name: 4-aminobutyric acid benzyl ester; tosylic acid Formula: C18H23NO5S MolecularWeight: 365.44392

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)O.C1=CC=C(C=C1)COC(=O)CCCN

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)O.C1=CC=C(C=C1)COC(=O)CCCN

InChI

InChI=1S/C11H15NO2.C7H8O3S/c12-8-4-7-11(13)14-9-10-5-2-1-3-6-10;1-6-2-4-7(5-3-6)11(8,9)10/h1-3,5-6H,4,7-9,12H2;2-5H,1H3,(H,8,9,10)