| Properties | Image |
|---|
| MNX_ID | MNXM1138557 |
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| reference | envipathM:...90525265ba53 |
| formula | C12H11Cl5O3 |
| global charge | 0 |
| mol weight | 380.482 |
| InChIKey | IXYUTJYYKTUQMZ-UHFFFAOYSA-N |
| InChI | InChI=1S/C12H11Cl5O3/c13-5-2-9(14)8-3-1-4(7(19)6(3)18)10(8,20)11(5,15)12(9,16)17/h3-5,7-8,19-20H,1-2H2 |
| SMILES | O=C1C(O)C2CC1C1C3(Cl)CC(Cl)C(Cl)(C21O)C3(Cl)Cl |
MNX internals
| InChI (mnx) | InChI=1/C12H11Cl5O3/c13-5-2-9(14)8-3-1-4(7(19)6(3)18)10(8,20)11(5,15)12(9,16)17/h3-5,7-8,19-20H,1-2H2/t3?,4?,5?,7?,8?,9?,10?,11? |
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| SMILES (mnx) | [CH2:1]1[CH:3]2[C:6](=[O:18])[CH:7]([OH:19])[CH:4]1[C:10]1([OH:20])[CH:8]2[C:9]2([Cl:14])[CH2:2][CH:5]([Cl:13])[C:11]1([Cl:15])[C:12]2([Cl:16])[Cl:17] |
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