3-[(2,6-dimethylphenyl)amino]propane-1-sulfonic acid

Systemtic Name: 3-[(2,6-dimethylphenyl)amino]propane-1-sulfonic acid Openeye Name: 3-(2,6-dimethylanilino)propane-1-sulfonic acid CAS Name: 3-(2,6-dimethylanilino)-1-propanesulfonic acid IUPAC Name: 3-(2,6-dimethylanilino)propane-1-sulfonic acid Traditional Name: 3-(2,6-dimethylanilino)propane-1-sulfonic acid Formula: C11H17NO3S MolecularWeight: 243.32258

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)C)NCCCS(=O)(=O)O

Isomeric SMILES

CC1=C(C(=CC=C1)C)NCCCS(=O)(=O)O

InChI

InChI=1S/C11H17NO3S/c1-9-5-3-6-10(2)11(9)12-7-4-8-16(13,14)15/h3,5-6,12H,4,7-8H2,1-2H3,(H,13,14,15)