3-[(2-ethyl-3,5-dimethoxy-phenyl)amino]-2-oxidanyl-propane-1-sulfonic acid

Systemtic Name: 3-[(2-ethyl-3,5-dimethoxy-phenyl)amino]-2-oxidanyl-propane-1-sulfonic acid Openeye Name: 3-(2-ethyl-3,5-dimethoxy-anilino)-2-hydroxy-propane-1-sulfonic acid CAS Name: 3-(2-ethyl-3,5-dimethoxyanilino)-2-hydroxy-1-propanesulfonic acid IUPAC Name: 3-(2-ethyl-3,5-dimethoxyanilino)-2-hydroxypropane-1-sulfonic acid Traditional Name: 3-(2-ethyl-3,5-dimethoxy-anilino)-2-hydroxy-propane-1-sulfonic acid Formula: C13H21NO6S MolecularWeight: 319.37394

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=C(C=C1NCC(CS(=O)(=O)O)O)OC)OC

Isomeric SMILES

CCC1=C(C=C(C=C1NCC(CS(=O)(=O)O)O)OC)OC

InChI

InChI=1S/C13H21NO6S/c1-4-11-12(5-10(19-2)6-13(11)20-3)14-7-9(15)8-21(16,17)18/h5-6,9,14-15H,4,7-8H2,1-3H3,(H,16,17,18)