| Properties | Image |
|---|
| MNX_ID | MNXM1175092 |
 |
| reference | envipathM:...913641e63487 |
| formula | C12H10Cl5O6 |
| global charge | -1 |
| mol weight | 427.471 |
| InChIKey | HYRWXLLVEKPOIO-UHFFFAOYSA-M |
| InChI | InChI=1S/C12H11Cl5O6/c13-5-4(10(22)23)12(16,17)11(15,8(5)14)9(21)2-1-3(18)7(20)6(2)19/h2-4,6,9,18-19,21H,1H2,(H,22,23)/p-1 |
| SMILES | O=C1C(O)CC(C(O)C2(Cl)C(Cl)=C(Cl)C(C(=O)[O-])C2(Cl)Cl)C1O |
MNX internals
| InChI (mnx) | InChI=1/C12H11Cl5O6/c13-5-4(10(22)23)12(16,17)11(15,8(5)14)9(21)2-1-3(18)7(20)6(2)19/h2-4,6,9,18-19,21H,1H2,(H,22,23)/t2?,3?,4?,6?,9?,11? |
 |
| SMILES (mnx) | [CH2:1]1[CH:2]([CH:9]([C:11]2([Cl:15])[C:8]([Cl:14])=[C:5]([Cl:13])[CH:4]([C:10](=[O:22])[OH:23])[C:12]2([Cl:16])[Cl:17])[OH:21])[CH:6]([OH:19])[C:7](=[O:20])[CH:3]1[OH:18] |
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