3-fluoro-5-(((4aS,7aR)-hexahydrofuro[3,4-b]pyridin-1(2H)-yl)sulfonyl)benzoic acid
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Basic information
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Exact Mass | 329.07332 |
Smiles | S(=O)(=O)(N1[C@]2([H])[C@](COC2)([H])CCC1)C1=CC(C(O)=O)=CC(F)=C1 |
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Canonical Smiles | OC(=O)C1C=C(C=C(F)C=1)S(=O)(=O)N1CCC[C@@H]2COC[C@H]12 |
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Inchi | InChI=1S/C14H16FNO5S/c15-11-4-10(14(17)18)5-12(6-11)22(19,20)16-3-1-2-9-7-21-8-13(9)16/h4-6,9,13H,1-3,7-8H2,(H,17,18)/t9-,13+/m1/s1 |
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InchiKey | IBBSDYXLQNFULJ-RNCFNFMXSA-N |
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