| Properties | Image |
|---|
| MNX_ID | MNXM1173732 |
 |
| reference | envipathM:...ffd6319fa2a9 |
| formula | C12H9Cl4O5 |
| global charge | -1 |
| mol weight | 375.011 |
| InChIKey | XCQIZDSRCBFNDR-UHFFFAOYSA-M |
| InChI | InChI=1S/C12H10Cl4O5/c13-5-3-8(14)11(16,9(5)15)7-2(1-17)6(18)4(10(19)20)12(3,7)21/h1-4,6-8,18,21H,(H,19,20)/p-1 |
| SMILES | O=CC1C(O)C(C(=O)[O-])C2(O)C3C(Cl)=C(Cl)C(Cl)(C3Cl)C12 |
MNX internals
| InChI (mnx) | InChI=1/C12H10Cl4O5/c13-5-3-8(14)11(16,9(5)15)7-2(1-17)6(18)4(10(19)20)12(3,7)21/h1-4,6-8,18,21H,(H,19,20)/t2?,3?,4?,6?,7?,8?,11?,12? |
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| SMILES (mnx) | [CH:1]([CH:2]1[CH:6]([OH:18])[CH:4]([C:10](=[O:19])[OH:20])[C:12]2([OH:21])[CH:3]3[C:5]([Cl:13])=[C:9]([Cl:15])[C:11]([Cl:16])([CH:7]12)[CH:8]3[Cl:14])=[O:17] |
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