4-methylbenzenesulfonic acid; N-methylethanamine

Systemtic Name: 4-methylbenzenesulfonic acid; N-methylethanamine Openeye Name: 4-methylbenzenesulfonic acid; N-methylethanamine CAS Name: 4-methylbenzenesulfonic acid; N-methylethanamine IUPAC Name: 4-methylbenzenesulfonic acid; N-methylethanamine Traditional Name: ethyl(methyl)amine; tosylic acid Formula: C10H17NO3S MolecularWeight: 231.31188

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C7H8O3S.C3H9N/c1-6-2-4-7(5-3-6)11(8,9)10;1-3-4-2/h2-5H,1H3,(H,8,9,10);4H,3H2,1-2H3