3-[(4-fluoranyl-3,5-dimethoxy-phenyl)amino]-2-oxidanyl-propane-1-sulfonic acid

Systemtic Name: 3-[(4-fluoranyl-3,5-dimethoxy-phenyl)amino]-2-oxidanyl-propane-1-sulfonic acid Openeye Name: 3-(4-fluoro-3,5-dimethoxy-anilino)-2-hydroxy-propane-1-sulfonic acid CAS Name: 3-(4-fluoro-3,5-dimethoxyanilino)-2-hydroxy-1-propanesulfonic acid IUPAC Name: 3-(4-fluoro-3,5-dimethoxyanilino)-2-hydroxypropane-1-sulfonic acid Traditional Name: 3-(4-fluoro-3,5-dimethoxy-anilino)-2-hydroxy-propane-1-sulfonic acid Formula: C11H16FNO6S MolecularWeight: 309.311243

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1F)OC)NCC(CS(=O)(=O)O)O

Isomeric SMILES

COC1=CC(=CC(=C1F)OC)NCC(CS(=O)(=O)O)O

InChI

InChI=1S/C11H16FNO6S/c1-18-9-3-7(4-10(19-2)11(9)12)13-5-8(14)6-20(15,16)17/h3-4,8,13-14H,5-6H2,1-2H3,(H,15,16,17)