methanesulfonic acid; 3-methylaniline

Systemtic Name: methanesulfonic acid; 3-methylaniline Openeye Name: methanesulfonic acid; 3-methylaniline CAS Name: methanesulfonic acid; 3-methylaniline IUPAC Name: methanesulfonic acid; 3-methylaniline Traditional Name: mesylic acid; m-toluidine Formula: C8H13NO3S MolecularWeight: 203.25872

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)N.CS(=O)(=O)O

Isomeric SMILES

CC1=CC(=CC=C1)N.CS(=O)(=O)O

InChI

InChI=1S/C7H9N.CH4O3S/c1-6-3-2-4-7(8)5-6;1-5(2,3)4/h2-5H,8H2,1H3;1H3,(H,2,3,4)