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

Systemtic Name: 3-[ethyl-(3-methyl-2-oxidanyl-phenyl)amino]propane-1-sulfonic acid Openeye Name: 3-(N-ethyl-2-hydroxy-3-methyl-anilino)propane-1-sulfonic acid CAS Name: 3-(N-ethyl-2-hydroxy-3-methylanilino)-1-propanesulfonic acid IUPAC Name: 3-(N-ethyl-2-hydroxy-3-methylanilino)propane-1-sulfonic acid Traditional Name: 3-(N-ethyl-2-hydroxy-3-methyl-anilino)propane-1-sulfonic acid Formula: C12H19NO4S MolecularWeight: 273.34856

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CCCS(=O)(=O)O)C1=CC=CC(=C1O)C

Isomeric SMILES

CCN(CCCS(=O)(=O)O)C1=CC=CC(=C1O)C

InChI

InChI=1S/C12H19NO4S/c1-3-13(8-5-9-18(15,16)17)11-7-4-6-10(2)12(11)14/h4,6-7,14H,3,5,8-9H2,1-2H3,(H,15,16,17)