| Properties | Image |
|---|
| MNX_ID | MNXM1171750 |
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| reference | envipathM:...1d58c7ac72b2 |
| formula | C12H9Cl6O7 |
| global charge | -1 |
| mol weight | 477.915 |
| InChIKey | XCDJIWHZTDNJPG-UHFFFAOYSA-M |
| InChI | InChI=1S/C12H10Cl6O7/c13-4-5(14)11(16)6(21)3(10(4,15)12(11,17)18)9(25,2(20)1-19)7(22)8(23)24/h3,6-7,19,21-22,25H,1H2,(H,23,24)/p-1 |
| SMILES | O=C([O-])C(O)C(O)(C(=O)CO)C1C(O)C2(Cl)C(Cl)=C(Cl)C1(Cl)C2(Cl)Cl |
MNX internals
| InChI (mnx) | InChI=1/C12H10Cl6O7/c13-4-5(14)11(16)6(21)3(10(4,15)12(11,17)18)9(25,2(20)1-19)7(22)8(23)24/h3,6-7,19,21-22,25H,1H2,(H,23,24)/t3?,6?,7?,9?,10?,11? |
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| SMILES (mnx) | [CH2:1]([C:2]([C:9]([CH:3]1[CH:6]([OH:21])[C:11]2([Cl:16])[C:5]([Cl:14])=[C:4]([Cl:13])[C:10]1([Cl:15])[C:12]2([Cl:17])[Cl:18])([CH:7]([C:8](=[O:23])[OH:24])[OH:22])[OH:25])=[O:20])[OH:19] |
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