3-[(2-ethyl-6-methyl-phenyl)amino]propane-1-sulfonic acid

Systemtic Name: 3-[(2-ethyl-6-methyl-phenyl)amino]propane-1-sulfonic acid Openeye Name: 3-(2-ethyl-6-methyl-anilino)propane-1-sulfonic acid CAS Name: 3-(2-ethyl-6-methylanilino)-1-propanesulfonic acid IUPAC Name: 3-(2-ethyl-6-methylanilino)propane-1-sulfonic acid Traditional Name: 3-(2-ethyl-6-methyl-anilino)propane-1-sulfonic acid Formula: C12H19NO3S MolecularWeight: 257.34916

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC(=C1NCCCS(=O)(=O)O)C

Isomeric SMILES

CCC1=CC=CC(=C1NCCCS(=O)(=O)O)C

InChI

InChI=1S/C12H19NO3S/c1-3-11-7-4-6-10(2)12(11)13-8-5-9-17(14,15)16/h4,6-7,13H,3,5,8-9H2,1-2H3,(H,14,15,16)