| PDB CCD ID: | YA5 |
| Number of entries in BioLiP: | 2 |
| Chemical formula: | C16 H10 F N O6 S |
| InChI: | InChI=1S/C16H10FNO6S/c17-25(22,23)24-13-7-2-1-4-9(13)10-5-3-6-11-14(10)18-8-12(15(11)19)16(20)21/h1-8H,(H,18,19)(H,20,21) |
| InChIKey: | OTACFQKCZJQCRU-UHFFFAOYSA-N |
| SMILES: | | Software | SMILES |
|---|
| OpenEye OEToolkits 2.0.7 | c1ccc(c(c1)c2cccc3c2NC=C(C3=O)C(=O)O)OS(=O)(=O)F | | ACDLabs 12.01 | FS(=O)(=O)Oc1ccccc1c1cccc2c1NC=C(C2=O)C(=O)O | | CACTVS 3.385 | OC(=O)C1=CNc2c(cccc2c3ccccc3O[S](F)(=O)=O)C1=O |
|
| Name: | (8M)-8-{2-[(fluorosulfonyl)oxy]phenyl}-4-oxo-1,4-dihydroquinoline-3-carboxylic acid |
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