3-[(3,5-dimethylphenyl)amino]propane-1-sulfonic acid

Systemtic Name: 3-[(3,5-dimethylphenyl)amino]propane-1-sulfonic acid Openeye Name: 3-(3,5-dimethylanilino)propane-1-sulfonic acid CAS Name: 3-(3,5-dimethylanilino)-1-propanesulfonic acid IUPAC Name: 3-(3,5-dimethylanilino)propane-1-sulfonic acid Traditional Name: 3-(3,5-dimethylanilino)propane-1-sulfonic acid Formula: C11H17NO3S MolecularWeight: 243.32258

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H17NO3S/c1-9-6-10(2)8-11(7-9)12-4-3-5-16(13,14)15/h6-8,12H,3-5H2,1-2H3,(H,13,14,15)