(E,6S,7S)-7-(3-fluoranyl-4-oxidanyl-phenyl)-6-methoxy-7-oxidanyl-hept-2-enoic acid

Systemtic Name: (E,6S,7S)-7-(3-fluoranyl-4-oxidanyl-phenyl)-6-methoxy-7-oxidanyl-hept-2-enoic acid Openeye Name: (E,6S,7S)-7-(3-fluoro-4-hydroxy-phenyl)-7-hydroxy-6-methoxy-hept-2-enoic acid CAS Name: (E,6S,7S)-7-(3-fluoro-4-hydroxyphenyl)-7-hydroxy-6-methoxy-2-heptenoic acid IUPAC Name: (E,6S,7S)-7-(3-fluoro-4-hydroxyphenyl)-7-hydroxy-6-methoxyhept-2-enoic acid Traditional Name: (E,6S,7S)-7-(3-fluoro-4-hydroxy-phenyl)-7-hydroxy-6-methoxy-hept-2-enoic acid Formula: C14H17FO5 MolecularWeight: 284.280183

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Descriptors Computed from Structure

Canonical SMILES:

COC(CCC=CC(=O)O)C(C1=CC(=C(C=C1)O)F)O

Isomeric SMILES

CO[C@@H](CC/C=C/C(=O)O)[C@H](C1=CC(=C(C=C1)O)F)O

InChI

InChI=1S/C14H17FO5/c1-20-12(4-2-3-5-13(17)18)14(19)9-6-7-11(16)10(15)8-9/h3,5-8,12,14,16,19H,2,4H2,1H3,(H,17,18)/b5-3+/t12-,14-/m0/s1