| Properties | Image |
|---|
| MNX_ID | MNXM1172168 |
 |
| reference | envipathM:...61489504776c |
| formula | C12H11Cl4O5 |
| global charge | -1 |
| mol weight | 377.027 |
| InChIKey | DODWKMBXWSSXDK-UHFFFAOYSA-M |
| InChI | InChI=1S/C12H12Cl4O5/c13-7-5-3-2(9(17)10(18)19)1-11(20,21)4(3)6(8(7)14)12(5,15)16/h2-6,9,17,20-21H,1H2,(H,18,19)/p-1 |
| SMILES | O=C([O-])C(O)C1CC(O)(O)C2C1C1C(Cl)=C(Cl)C2C1(Cl)Cl |
MNX internals
| InChI (mnx) | InChI=1/C12H12Cl4O5/c13-7-5-3-2(9(17)10(18)19)1-11(20,21)4(3)6(8(7)14)12(5,15)16/h2-6,9,17,20-21H,1H2,(H,18,19)/t2?,3?,4?,5?,6?,9? |
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| SMILES (mnx) | [CH2:1]1[CH:2]([CH:9]([C:10](=[O:18])[OH:19])[OH:17])[CH:3]2[CH:4]([CH:6]3[C:8]([Cl:14])=[C:7]([Cl:13])[CH:5]2[C:12]3([Cl:15])[Cl:16])[C:11]1([OH:20])[OH:21] |
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