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

Systemtic Name: (E,7S)-7-(3-fluoranyl-4-oxidanyl-phenyl)-7-oxidanyl-hept-2-enoic acid Openeye Name: (E,7S)-7-(3-fluoro-4-hydroxy-phenyl)-7-hydroxy-hept-2-enoic acid CAS Name: (E,7S)-7-(3-fluoro-4-hydroxyphenyl)-7-hydroxy-2-heptenoic acid IUPAC Name: (E,7S)-7-(3-fluoro-4-hydroxyphenyl)-7-hydroxyhept-2-enoic acid Traditional Name: (E,7S)-7-(3-fluoro-4-hydroxy-phenyl)-7-hydroxy-hept-2-enoic acid Formula: C13H15FO4 MolecularWeight: 254.254203

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1C(CCCC=CC(=O)O)O)F)O

Isomeric SMILES

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

InChI

InChI=1S/C13H15FO4/c14-10-8-9(6-7-12(10)16)11(15)4-2-1-3-5-13(17)18/h3,5-8,11,15-16H,1-2,4H2,(H,17,18)/b5-3+/t11-/m0/s1