PDB CCD ID: | 7HN |
Number of entries in BioLiP: | 1 |
Chemical formula: | C14 H7 F5 O4 |
InChI: | InChI=1S/C14H7F5O4/c15-8-6(9(16)11(18)12(19)10(8)17)3-5-4(14(22)23)1-2-7(20)13(5)21/h1-2,20-21H,3H2,(H,22,23) |
InChIKey: | OKFLUGFRGVSRHK-UHFFFAOYSA-N |
SMILES: | Software | SMILES |
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OpenEye OEToolkits 1.7.6 | c1cc(c(c(c1C(=O)O)Cc2c(c(c(c(c2F)F)F)F)F)O)O | ACDLabs 12.01 | O=C(O)c1ccc(O)c(O)c1Cc2c(F)c(F)c(F)c(F)c2F | CACTVS 3.385 | OC(=O)c1ccc(O)c(O)c1Cc2c(F)c(F)c(F)c(F)c2F |
|
Name: | 3,4-DIHYDROXY-2-[(2,3,4,5,6-PENTAFLUOROPHENYL)METHYL]BENZOIC ACID |
ZINC: | ZINC000263620841 |