3-[4-[ethyl(oxidanyl)amino]-2,6-dimethyl-phenyl]propane-1-sulfonic acid

Systemtic Name: 3-[4-[ethyl(oxidanyl)amino]-2,6-dimethyl-phenyl]propane-1-sulfonic acid Openeye Name: 3-[4-[ethyl(hydroxy)amino]-2,6-dimethyl-phenyl]propane-1-sulfonic acid CAS Name: 3-[4-[ethyl(hydroxy)amino]-2,6-dimethylphenyl]-1-propanesulfonic acid IUPAC Name: 3-[4-[ethyl(hydroxy)amino]-2,6-dimethylphenyl]propane-1-sulfonic acid Traditional Name: 3-[4-[ethyl(hydroxy)amino]-2,6-dimethyl-phenyl]propane-1-sulfonic acid Formula: C13H21NO4S MolecularWeight: 287.37514

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Descriptors Computed from Structure

Canonical SMILES:

CCN(C1=CC(=C(C(=C1)C)CCCS(=O)(=O)O)C)O

Isomeric SMILES

CCN(C1=CC(=C(C(=C1)C)CCCS(=O)(=O)O)C)O

InChI

InChI=1S/C13H21NO4S/c1-4-14(15)12-8-10(2)13(11(3)9-12)6-5-7-19(16,17)18/h8-9,15H,4-7H2,1-3H3,(H,16,17,18)