3-[2-(ethylamino)-4,6-dimethoxy-phenyl]-2-oxidanyl-propane-1-sulfonic acid

Systemtic Name: 3-[2-(ethylamino)-4,6-dimethoxy-phenyl]-2-oxidanyl-propane-1-sulfonic acid Openeye Name: 3-[2-(ethylamino)-4,6-dimethoxy-phenyl]-2-hydroxy-propane-1-sulfonic acid CAS Name: 3-[2-(ethylamino)-4,6-dimethoxyphenyl]-2-hydroxy-1-propanesulfonic acid IUPAC Name: 3-[2-(ethylamino)-4,6-dimethoxyphenyl]-2-hydroxypropane-1-sulfonic acid Traditional Name: 3-[2-(ethylamino)-4,6-dimethoxy-phenyl]-2-hydroxy-propane-1-sulfonic acid Formula: C13H21NO6S MolecularWeight: 319.37394

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Descriptors Computed from Structure

Canonical SMILES:

CCNC1=CC(=CC(=C1CC(CS(=O)(=O)O)O)OC)OC

Isomeric SMILES

CCNC1=CC(=CC(=C1CC(CS(=O)(=O)O)O)OC)OC

InChI

InChI=1S/C13H21NO6S/c1-4-14-12-6-10(19-2)7-13(20-3)11(12)5-9(15)8-21(16,17)18/h6-7,9,14-15H,4-5,8H2,1-3H3,(H,16,17,18)