| Properties | Image |
|---|
| MNX_ID | MNXM1185907 |
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| reference | envipathM:...a73023938a2b |
| formula | C12H12Cl4O4 |
| global charge | 0 |
| mol weight | 362.036 |
| InChIKey | NYTKLFGKKLDJSS-UHFFFAOYSA-N |
| InChI | InChI=1S/C12H12Cl4O4/c13-7-2-10(15)8-5(18)1-4(6(19)3-17)12(8,20)11(7,16)9(10)14/h4,7-9,17,20H,1-3H2 |
| SMILES | O=C(CO)C1CC(=O)C2C3(Cl)CC(Cl)C(Cl)(C3Cl)C12O |
MNX internals
| InChI (mnx) | InChI=1/C12H12Cl4O4/c13-7-2-10(15)8-5(18)1-4(6(19)3-17)12(8,20)11(7,16)9(10)14/h4,7-9,17,20H,1-3H2/t4?,7?,8?,9?,10?,11?,12? |
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| SMILES (mnx) | [CH2:1]1[CH:4]([C:6]([CH2:3][OH:17])=[O:19])[C:12]2([OH:20])[CH:8]([C:5]1=[O:18])[C:10]1([Cl:15])[CH2:2][CH:7]([Cl:13])[C:11]2([Cl:16])[CH:9]1[Cl:14] |
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