| Properties | Image |
|---|
| MNX_ID | MNXM1177981 |
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| reference | envipathM:...8f209cf92212 |
| formula | C12H6Cl5O4 |
| global charge | -1 |
| mol weight | 391.441 |
| InChIKey | JGQHKSNHNCPOAW-UHFFFAOYSA-M |
| InChI | InChI=1S/C12H7Cl5O4/c13-7-6-3-4(10(20)21)8(19)2(1-18)5(3)11(15,9(7)14)12(6,16)17/h1-6H,(H,20,21)/p-1 |
| SMILES | O=CC1C(=O)C(C(=O)[O-])C2C3C(Cl)=C(Cl)C(Cl)(C12)C3(Cl)Cl |
MNX internals
| InChI (mnx) | InChI=1/C12H7Cl5O4/c13-7-6-3-4(10(20)21)8(19)2(1-18)5(3)11(15,9(7)14)12(6,16)17/h1-6H,(H,20,21)/t2?,3?,4?,5?,6?,11? |
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| SMILES (mnx) | [CH:1]([CH:2]1[CH:5]2[CH:3]([CH:4]([C:10](=[O:20])[OH:21])[C:8]1=[O:19])[CH:6]1[C:7]([Cl:13])=[C:9]([Cl:14])[C:11]2([Cl:15])[C:12]1([Cl:16])[Cl:17])=[O:18] |
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