| Properties | Image |
|---|
| MNX_ID | MNXM1184162 |
 |
| reference | envipathM:...ef0af199358c |
| formula | C12H12Cl5O5 |
| global charge | -1 |
| mol weight | 413.488 |
| InChIKey | SAGMDNOUNMIJRD-UHFFFAOYSA-M |
| InChI | InChI=1S/C12H13Cl5O5/c13-6-5(8(20)3-1-2-4(18)7(3)19)12(16,17)11(15,9(6)14)10(21)22/h3,5-9,19-20H,1-2H2,(H,21,22)/p-1 |
| SMILES | O=C1CCC(C(O)C2C(Cl)C(Cl)C(Cl)(C(=O)[O-])C2(Cl)Cl)C1O |
MNX internals
| InChI (mnx) | InChI=1/C12H13Cl5O5/c13-6-5(8(20)3-1-2-4(18)7(3)19)12(16,17)11(15,9(6)14)10(21)22/h3,5-9,19-20H,1-2H2,(H,21,22)/t3?,5?,6?,7?,8?,9?,11? |
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| SMILES (mnx) | [CH2:1]1[CH2:2][C:4](=[O:18])[CH:7]([OH:19])[CH:3]1[CH:8]([CH:5]1[CH:6]([Cl:13])[CH:9]([Cl:14])[C:11]([C:10](=[O:21])[OH:22])([Cl:15])[C:12]1([Cl:16])[Cl:17])[OH:20] |
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