| Properties | Image |
|---|
| MNX_ID | MNXM1177431 |
 |
| reference | envipathM:...075be1efe0a0 |
| formula | C12H10Cl6O7 |
| global charge | 0 |
| mol weight | 478.923 |
| InChIKey | ZCEBIEYDCHATRD-UHFFFAOYSA-N |
| InChI | InChI=1S/C12H10Cl6O7/c13-6-9(14)8(23,4-2(19)1-3(20)5(4)21)7(22)25-12(18,10(6,15)24)11(9,16)17/h2,4-6,19,21,23-24H,1H2 |
| SMILES | O=C1CC(O)C(C2(O)C(=O)OC3(Cl)C(O)(Cl)C(Cl)C2(Cl)C3(Cl)Cl)C1O |
MNX internals
| InChI (mnx) | InChI=1/C12H10Cl6O7/c13-6-9(14)8(23,4-2(19)1-3(20)5(4)21)7(22)25-12(18,10(6,15)24)11(9,16)17/h2,4-6,19,21,23-24H,1H2/t2?,4?,5?,6?,8?,9?,10?,12? |
 |
| SMILES (mnx) | [CH2:1]1[CH:2]([OH:19])[CH:4]([C:8]2([OH:23])[C:7](=[O:22])[O:25][C:12]3([Cl:18])[C:10]([Cl:15])([OH:24])[CH:6]([Cl:13])[C:9]2([Cl:14])[C:11]3([Cl:16])[Cl:17])[CH:5]([OH:21])[C:3]1=[O:20] |
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