4-methylbenzenesulfonic acid; N-methylmethanamine

Systemtic Name: 4-methylbenzenesulfonic acid; N-methylmethanamine Openeye Name: 4-methylbenzenesulfonic acid; N-methylmethanamine CAS Name: 4-methylbenzenesulfonic acid; N-methylmethanamine IUPAC Name: 4-methylbenzenesulfonic acid; N-methylmethanamine Traditional Name: dimethylamine; tosylic acid Formula: C9H15NO3S MolecularWeight: 217.2853

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C7H8O3S.C2H7N/c1-6-2-4-7(5-3-6)11(8,9)10;1-3-2/h2-5H,1H3,(H,8,9,10);3H,1-2H3