| Properties | Image |
|---|
| MNX_ID | MNXM1177874 |
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| reference | envipathM:...6be9cb5f3b40 |
| formula | C12H11Cl6O6 |
| global charge | -1 |
| mol weight | 463.932 |
| InChIKey | XKLYJGNFNLQKDW-UHFFFAOYSA-M |
| InChI | InChI=1S/C12H12Cl6O6/c13-8-9(14)5(3(7(22)23)1-2-4(19)20)6(21)10(15,11(8,16)24)12(9,17)18/h3,5,7-8,22-24H,1-2H2,(H,19,20)/p-1 |
| SMILES | O=C([O-])CCC(C(O)O)C1C(=O)C2(Cl)C(O)(Cl)C(Cl)C1(Cl)C2(Cl)Cl |
MNX internals
| InChI (mnx) | InChI=1/C12H12Cl6O6/c13-8-9(14)5(3(7(22)23)1-2-4(19)20)6(21)10(15,11(8,16)24)12(9,17)18/h3,5,7-8,22-24H,1-2H2,(H,19,20)/t3?,5?,8?,9?,10?,11? |
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| SMILES (mnx) | [CH2:1]([CH2:2][C:4](=[O:19])[OH:20])[CH:3]([CH:5]1[C:6](=[O:21])[C:10]2([Cl:15])[C:11]([Cl:16])([OH:24])[CH:8]([Cl:13])[C:9]1([Cl:14])[C:12]2([Cl:17])[Cl:18])[CH:7]([OH:22])[OH:23] |
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