| Properties | Image |
|---|
| MNX_ID | MNXM1182739 |
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| reference | envipathM:...588fde25abcd |
| formula | C12H9Cl5O3 |
| global charge | 0 |
| mol weight | 378.466 |
| InChIKey | XNWGTHFWFABXQA-UHFFFAOYSA-N |
| InChI | InChI=1S/C12H9Cl5O3/c13-6-7(14)12(17)5-3(11(6,16)9(12)15)2-1-10(5,20)8(19)4(2)18/h2-3,5-7,9,20H,1H2 |
| SMILES | O=C1C(=O)C2(O)CC1C1C2C2(Cl)C(Cl)C(Cl)C1(Cl)C2Cl |
MNX internals
| InChI (mnx) | InChI=1/C12H9Cl5O3/c13-6-7(14)12(17)5-3(11(6,16)9(12)15)2-1-10(5,20)8(19)4(2)18/h2-3,5-7,9,20H,1H2/t2?,3?,5?,6?,7?,9?,10?,11?,12? |
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| SMILES (mnx) | [CH2:1]1[CH:2]2[CH:3]3[CH:5]([C:10]1([OH:20])[C:8](=[O:19])[C:4]2=[O:18])[C:12]1([Cl:17])[CH:7]([Cl:14])[CH:6]([Cl:13])[C:11]3([Cl:16])[CH:9]1[Cl:15] |
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