| Properties | Image |
|---|
| MNX_ID | MNXM1178976 |
 |
| reference | envipathM:...41a5c9db10a5 |
| formula | C12H8Cl5O6 |
| global charge | -1 |
| mol weight | 425.455 |
| InChIKey | SEXZGNIVXBRZIA-UHFFFAOYSA-M |
| InChI | InChI=1S/C12H9Cl5O6/c13-5-3-2-1(8(19)20)6(18)4(9(21)22)10(2,23)11(15,7(5)14)12(3,16)17/h1-4,8,19-20,23H,(H,21,22)/p-1 |
| SMILES | O=C([O-])C1C(=O)C(C(O)O)C2C3C(Cl)=C(Cl)C(Cl)(C3(Cl)Cl)C12O |
MNX internals
| InChI (mnx) | InChI=1/C12H9Cl5O6/c13-5-3-2-1(8(19)20)6(18)4(9(21)22)10(2,23)11(15,7(5)14)12(3,16)17/h1-4,8,19-20,23H,(H,21,22)/t1?,2?,3?,4?,10?,11? |
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| SMILES (mnx) | [CH:1]1([CH:8]([OH:19])[OH:20])[CH:2]2[CH:3]3[C:5]([Cl:13])=[C:7]([Cl:14])[C:11]([Cl:15])([C:10]2([OH:23])[CH:4]([C:9](=[O:21])[OH:22])[C:6]1=[O:18])[C:12]3([Cl:16])[Cl:17] |
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