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2,5-Dichloro-carboxymethylenebut-2-en-4-olide
MNXM5443 is deprecated and here replaced by MNXM1371920
!!! Alternative mappings exist !!!
| Properties | Image |
| MNX_ID | MNXM1371920 |
 |
| reference | envipathM:...6bc1acf93331 |
| formula | C6HCl2O4 |
| global charge | -1 |
| mol weight | 207.976 |
| InChIKey | XJQKWSUIZRECMR-ARJAWSKDSA-M |
| InChI | InChI=1S/C6H2Cl2O4/c7-2-1-3(12-6(2)11)4(8)5(9)10/h1H,(H,9,10)/p-1/b4-3- |
| SMILES | O=C1O/C(=C(\Cl)C(=O)[O-])C=C1Cl |
MNX internals
| InChI (mnx) | InChI=1/C6H2Cl2O4/c7-2-1-3(12-6(2)11)4(8)5(9)10/h1H,(H,9,10)/b4-3- |
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| SMILES (mnx) | [CH:1]1=[C:2]([Cl:7])[C:6](=[O:11])[O:12]/[C:3]1=[C:4](/[C:5](=[O:9])[OH:10])[Cl:8] |
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| Parent-child relations graph |
| Occurences in reactions | #reac |
| in my sandbox |
0 |
| in MNXref (generic) | 0 |
| in models (compartimentalized) |
0 |
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