| PDB CCD ID: | K6H |
| Number of entries in BioLiP: | 10 |
| Chemical formula: | C6 H5 Cl O4 |
| InChI: | InChI=1S/C6H5ClO4/c7-5(6(9)10)3-1-2-4(8)11-3/h1-3,5H,(H,9,10)/t3-,5+/m1/s1 |
| InChIKey: | KGCZGOVWTWDEQD-WUJLRWPWSA-N |
| SMILES: | | Software | SMILES |
|---|
| OpenEye OEToolkits 1.9.2 | C1=CC(=O)O[C@H]1[C@@H](C(=O)O)Cl | | CACTVS 3.385 | OC(=O)[C@@H](Cl)[C@@H]1OC(=O)C=C1 | | OpenEye OEToolkits 1.9.2 | C1=CC(=O)OC1C(C(=O)O)Cl | | ACDLabs 12.01 | O=C1OC(C=C1)C(Cl)C(=O)O | | CACTVS 3.385 | OC(=O)[CH](Cl)[CH]1OC(=O)C=C1 |
|
| Name: | (2S)-2-chloranyl-2-[(2R)-5-oxidanylidene-2H-furan-2-yl]ethanoic acid;
5-CHLOROMUCONOLACTONE |
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