1-[(3-methylphenyl)amino]propane-1-sulfonic acid

Systemtic Name: 1-[(3-methylphenyl)amino]propane-1-sulfonic acid Openeye Name: 1-(3-methylanilino)propane-1-sulfonic acid CAS Name: 1-(3-methylanilino)-1-propanesulfonic acid IUPAC Name: 1-(3-methylanilino)propane-1-sulfonic acid Traditional Name: 1-(m-toluidino)propane-1-sulfonic acid Formula: C10H15NO3S MolecularWeight: 229.296

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Descriptors Computed from Structure

Canonical SMILES:

CCC(NC1=CC=CC(=C1)C)S(=O)(=O)O

Isomeric SMILES

CCC(NC1=CC=CC(=C1)C)S(=O)(=O)O

InChI

InChI=1S/C10H15NO3S/c1-3-10(15(12,13)14)11-9-6-4-5-8(2)7-9/h4-7,10-11H,3H2,1-2H3,(H,12,13,14)