| Properties | Image |
|---|
| MNX_ID | MNXM1177910 |
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| reference | envipathM:...fe4563029ace |
| formula | C12H12Cl4O4 |
| global charge | 0 |
| mol weight | 362.036 |
| InChIKey | WQRNUJMDNJZXTG-UHFFFAOYSA-N |
| InChI | InChI=1S/C12H12Cl4O4/c13-9-1-2-10(14,12(9,15)16)11(20)7(19)3-5(8(9)11)6(18)4-17/h5,8,17,20H,1-4H2 |
| SMILES | O=C(CO)C1CC(=O)C2(O)C1C1(Cl)CCC2(Cl)C1(Cl)Cl |
MNX internals
| InChI (mnx) | InChI=1/C12H12Cl4O4/c13-9-1-2-10(14,12(9,15)16)11(20)7(19)3-5(8(9)11)6(18)4-17/h5,8,17,20H,1-4H2/t5?,8?,9?,10?,11? |
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| SMILES (mnx) | [CH2:1]1[CH2:2][C:10]2([Cl:14])[C:11]3([OH:20])[C:7](=[O:19])[CH2:3][CH:5]([C:6]([CH2:4][OH:17])=[O:18])[CH:8]3[C:9]1([Cl:13])[C:12]2([Cl:15])[Cl:16] |
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