| Properties | Image |
|---|
| MNX_ID | MNXM1175153 |
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| reference | envipathM:...2498baf45b62 |
| formula | C12H8Cl6O6 |
| global charge | 0 |
| mol weight | 460.908 |
| InChIKey | WMJSNYWOMAQDOE-UHFFFAOYSA-N |
| InChI | InChI=1S/C12H8Cl6O6/c13-7-9(14)4(8(23)1-2(19)3(20)5(8)21)6(22)10(15,11(7,16)24)12(9,17)18/h2,4,7,19,23-24H,1H2 |
| SMILES | O=C1C(=O)C(O)(C2C(=O)C3(Cl)C(O)(Cl)C(Cl)C2(Cl)C3(Cl)Cl)CC1O |
MNX internals
| InChI (mnx) | InChI=1/C12H8Cl6O6/c13-7-9(14)4(8(23)1-2(19)3(20)5(8)21)6(22)10(15,11(7,16)24)12(9,17)18/h2,4,7,19,23-24H,1H2/t2?,4?,7?,8?,9?,10?,11? |
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| SMILES (mnx) | [CH2:1]1[CH:2]([OH:19])[C:3](=[O:20])[C:5](=[O:21])[C:8]1([CH:4]1[C:6](=[O:22])[C:10]2([Cl:15])[C:11]([Cl:16])([OH:24])[CH:7]([Cl:13])[C:9]1([Cl:14])[C:12]2([Cl:17])[Cl:18])[OH:23] |
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