2-[4-(2-ethoxy-1-oxidanyl-2-oxidanylidene-ethyl)-3-fluoranyl-phenyl]sulfanylethanoic acid

Systemtic Name: 2-[4-(2-ethoxy-1-oxidanyl-2-oxidanylidene-ethyl)-3-fluoranyl-phenyl]sulfanylethanoic acid Openeye Name: 2-[4-(2-ethoxy-1-hydroxy-2-oxo-ethyl)-3-fluoro-phenyl]sulfanylacetic acid CAS Name: 2-[[4-(2-ethoxy-1-hydroxy-2-oxoethyl)-3-fluorophenyl]thio]acetic acid IUPAC Name: 2-[4-(2-ethoxy-1-hydroxy-2-oxoethyl)-3-fluorophenyl]sulfanylacetic acid Traditional Name: 2-[[4-(2-ethoxy-1-hydroxy-2-keto-ethyl)-3-fluoro-phenyl]thio]acetic acid Formula: C12H13FO5S MolecularWeight: 288.292023

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C1=C(C=C(C=C1)SCC(=O)O)F)O

Isomeric SMILES

CCOC(=O)C(C1=C(C=C(C=C1)SCC(=O)O)F)O

InChI

InChI=1S/C12H13FO5S/c1-2-18-12(17)11(16)8-4-3-7(5-9(8)13)19-6-10(14)15/h3-5,11,16H,2,6H2,1H3,(H,14,15)