2-(methylamino)ethyl benzoate; 4-methylbenzenesulfonic acid

Systemtic Name: 2-(methylamino)ethyl benzoate; 4-methylbenzenesulfonic acid Openeye Name: 2-(methylamino)ethyl benzoate; 4-methylbenzenesulfonic acid CAS Name: benzoic acid 2-(methylamino)ethyl ester; 4-methylbenzenesulfonic acid IUPAC Name: 2-(methylamino)ethyl benzoate; 4-methylbenzenesulfonic acid Traditional Name: benzoic acid 2-(methylamino)ethyl ester; tosylic acid Formula: C17H21NO5S MolecularWeight: 351.41734

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C10H13NO2.C7H8O3S/c1-11-7-8-13-10(12)9-5-3-2-4-6-9;1-6-2-4-7(5-3-6)11(8,9)10/h2-6,11H,7-8H2,1H3;2-5H,1H3,(H,8,9,10)