3-fluoro-5-(((3aR,7aS)-3a,4,7,7a-tetrahydro-1H-4,7-methanoisoindol-2(3H)-yl)sulfonyl)benzoic acid
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Basic information
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Exact Mass | 337.07841 |
Smiles | S(=O)(=O)(N1C[C@]2([H])[C@](C3(CC2([H])C=C3)[H])([H])C1)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)N1C[C@@H]2[C@H](C1)C1CC2C=C1 |
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Inchi | InChI=1S/C16H16FNO4S/c17-12-4-11(16(19)20)5-13(6-12)23(21,22)18-7-14-9-1-2-10(3-9)15(14)8-18/h1-2,4-6,9-10,14-15H,3,7-8H2,(H,19,20)/t9?,10?,14-,15+ |
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InchiKey | LZKOXMPHGVROBB-PDPWUNHUSA-N |
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