| Properties | Image |
|---|
| MNX_ID | MNXM1171469 |
 |
| reference | envipathM:...accd6c8c67a8 |
| formula | C12H7Cl5O4 |
| global charge | 0 |
| mol weight | 392.449 |
| InChIKey | RMFUJKKUUVDFIH-UHFFFAOYSA-N |
| InChI | InChI=1S/C12H7Cl5O4/c13-6-5-4(2-1-3(18)8(20)7(2)19)10(21)11(15,9(6)14)12(5,16)17/h2,4-5,7,19H,1H2 |
| SMILES | O=C1CC(C2C(=O)C3(Cl)C(Cl)=C(Cl)C2C3(Cl)Cl)C(O)C1=O |
MNX internals
| InChI (mnx) | InChI=1/C12H7Cl5O4/c13-6-5-4(2-1-3(18)8(20)7(2)19)10(21)11(15,9(6)14)12(5,16)17/h2,4-5,7,19H,1H2/t2?,4?,5?,7?,11? |
 |
| SMILES (mnx) | [CH2:1]1[CH:2]([CH:4]2[CH:5]3[C:6]([Cl:13])=[C:9]([Cl:14])[C:11]([Cl:15])([C:10]2=[O:21])[C:12]3([Cl:16])[Cl:17])[CH:7]([OH:19])[C:8](=[O:20])[C:3]1=[O:18] |
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