| Properties | Image |
|---|
| MNX_ID | MNXM1195228 |
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| reference | envipathM:...f43ba44bd1df |
| formula | C12H11Cl3O5 |
| global charge | 0 |
| mol weight | 341.574 |
| InChIKey | HAHHBHLQAIMHKT-UHFFFAOYSA-N |
| InChI | InChI=1S/C12H11Cl3O5/c13-5-1-4-7-6(11(5,19)12(4,14)15)3-2-10(7,18)9(17)20-8(3)16/h1,3-4,6-8,16,18-19H,2H2 |
| SMILES | O=C1OC(O)C2CC1(O)C1C3C=C(Cl)C(O)(C21)C3(Cl)Cl |
MNX internals
| InChI (mnx) | InChI=1/C12H11Cl3O5/c13-5-1-4-7-6(11(5,19)12(4,14)15)3-2-10(7,18)9(17)20-8(3)16/h1,3-4,6-8,16,18-19H,2H2/t3?,4?,6?,7?,8?,10?,11? |
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| SMILES (mnx) | [CH:1]1=[C:5]([Cl:13])[C:11]2([OH:19])[CH:6]3[CH:3]4[CH2:2][C:10]([OH:18])([CH:7]3[CH:4]1[C:12]2([Cl:14])[Cl:15])[C:9](=[O:17])[O:20][CH:8]4[OH:16] |
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