| PDB CCD ID: | 8TW |
| Number of entries in BioLiP: | 2 |
| Chemical formula: | C7 H8 Cl2 O4 S |
| InChI: | InChI=1S/C7H8Cl2O4S/c8-6(9)4-3(7(6,12)13)2(1-14-4)5(10)11/h1-4,12-14H,(H,10,11)/t2-,3-,4+/m1/s1 |
| InChIKey: | CYWQDVFNRSXKKZ-JJYYJPOSSA-N |
| SMILES: | | Software | SMILES |
|---|
| CACTVS 3.385 | OC(=O)[CH]1C=[SH][CH]2[CH]1C(O)(O)C2(Cl)Cl | | CACTVS 3.385 | OC(=O)[C@@H]1C=[SH][C@H]2[C@@H]1C(O)(O)C2(Cl)Cl | | OpenEye OEToolkits 2.0.6 | C1=S[C@H]2[C@@H]([C@@H]1C(=O)O)C(C2(Cl)Cl)(O)O | | OpenEye OEToolkits 2.0.6 | C1=SC2C(C1C(=O)O)C(C2(Cl)Cl)(O)O |
|
| Name: | (1~{S},4~{R},5~{S})-7,7-bis(chloranyl)-6,6-bis(oxidanyl)-2$l^{4}-thiabicyclo[3.2.0]hept-2-ene-4-carboxylic acid |
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