| Properties | Image |
|---|
| MNX_ID | MNXM1191613 |
 |
| reference | envipathM:...fb1e12ea2893 |
| formula | C12H7Cl6O6 |
| global charge | -1 |
| mol weight | 459.9 |
| InChIKey | RAACVMJEXWUWIT-UHFFFAOYSA-M |
| InChI | InChI=1S/C12H8Cl6O6/c13-5-6(14)9(16)11(24)3(19)1-2(4(20)7(21)22)10(11,23)8(5,15)12(9,17)18/h2,4,20,23-24H,1H2,(H,21,22)/p-1 |
| SMILES | O=C([O-])C(O)C1CC(=O)C2(O)C3(Cl)C(Cl)=C(Cl)C(Cl)(C3(Cl)Cl)C12O |
MNX internals
| InChI (mnx) | InChI=1/C12H8Cl6O6/c13-5-6(14)9(16)11(24)3(19)1-2(4(20)7(21)22)10(11,23)8(5,15)12(9,17)18/h2,4,20,23-24H,1H2,(H,21,22)/t2?,4?,8?,9?,10?,11? |
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| SMILES (mnx) | [CH2:1]1[CH:2]([CH:4]([C:7](=[O:21])[OH:22])[OH:20])[C:10]2([OH:23])[C:8]3([Cl:15])[C:5]([Cl:13])=[C:6]([Cl:14])[C:9]([Cl:16])([C:11]2([OH:24])[C:3]1=[O:19])[C:12]3([Cl:17])[Cl:18] |
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