4-methylbenzenesulfonic acid; 2-phenylmethoxyethanamine

Systemtic Name: 4-methylbenzenesulfonic acid; 2-phenylmethoxyethanamine Openeye Name: 2-benzyloxyethanamine; 4-methylbenzenesulfonic acid CAS Name: 4-methylbenzenesulfonic acid; 2-phenylmethoxyethanamine IUPAC Name: 4-methylbenzenesulfonic acid; 2-phenylmethoxyethanamine Traditional Name: 2-benzoxyethylamine; tosylic acid Formula: C16H21NO4S MolecularWeight: 323.40724

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C9H13NO.C7H8O3S/c10-6-7-11-8-9-4-2-1-3-5-9;1-6-2-4-7(5-3-6)11(8,9)10/h1-5H,6-8,10H2;2-5H,1H3,(H,8,9,10)