4-methylbenzenesulfonic acid; (phenylmethyl) 2-azanylbenzoate

Systemtic Name: 4-methylbenzenesulfonic acid; (phenylmethyl) 2-azanylbenzoate Openeye Name: benzyl 2-aminobenzoate; 4-methylbenzenesulfonic acid CAS Name: 2-aminobenzoic acid (phenylmethyl) ester; 4-methylbenzenesulfonic acid IUPAC Name: benzyl 2-aminobenzoate; 4-methylbenzenesulfonic acid Traditional Name: 2-aminobenzoic acid benzyl ester; tosylic acid Formula: C21H21NO5S MolecularWeight: 399.46014

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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)C2=CC=CC=C2N

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)O.C1=CC=C(C=C1)COC(=O)C2=CC=CC=C2N

InChI

InChI=1S/C14H13NO2.C7H8O3S/c15-13-9-5-4-8-12(13)14(16)17-10-11-6-2-1-3-7-11;1-6-2-4-7(5-3-6)11(8,9)10/h1-9H,10,15H2;2-5H,1H3,(H,8,9,10)