4-methylbenzenesulfonic acid; (phenylmethyl) 2-azanylethanoate

Systemtic Name: 4-methylbenzenesulfonic acid; (phenylmethyl) 2-azanylethanoate Openeye Name: benzyl 2-aminoacetate; 4-methylbenzenesulfonic acid CAS Name: 2-aminoacetic acid (phenylmethyl) ester; 4-methylbenzenesulfonic acid IUPAC Name: benzyl 2-aminoacetate; 4-methylbenzenesulfonic acid Traditional Name: 2-aminoacetic acid benzyl ester; tosylic acid Formula: C16H19NO5S MolecularWeight: 337.39076

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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)CN

Isomeric SMILES

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

InChI

InChI=1S/C9H11NO2.C7H8O3S/c10-6-9(11)12-7-8-4-2-1-3-5-8;1-6-2-4-7(5-3-6)11(8,9)10/h1-5H,6-7,10H2;2-5H,1H3,(H,8,9,10)