| Properties | Image |
|---|
| MNX_ID | MNXM1137964 |
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| reference | envipathM:...d79a97b7dcef |
| formula | C12H10Cl5O5 |
| global charge | -1 |
| mol weight | 411.472 |
| InChIKey | KLJNSJAHWDDWQX-UHFFFAOYSA-M |
| InChI | InChI=1S/C12H11Cl5O5/c13-7(18)9(14)6-2-1-3(5-4(2)22-5)10(6,21)11(15,8(19)20)12(9,16)17/h2-7,18,21H,1H2,(H,19,20)/p-1 |
| SMILES | O=C([O-])C1(Cl)C2(O)C3CC(C4OC43)C2C(Cl)(C(O)Cl)C1(Cl)Cl |
MNX internals
| InChI (mnx) | InChI=1/C12H11Cl5O5/c13-7(18)9(14)6-2-1-3(5-4(2)22-5)10(6,21)11(15,8(19)20)12(9,16)17/h2-7,18,21H,1H2,(H,19,20)/t2?,3?,4?,5?,6?,7?,9?,10?,11? |
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| SMILES (mnx) | [CH2:1]1[CH:2]2[CH:4]3[CH:5]([CH:3]1[C:10]1([OH:21])[CH:6]2[C:9]([CH:7]([Cl:13])[OH:18])([Cl:14])[C:12]([Cl:16])([Cl:17])[C:11]1([C:8](=[O:19])[OH:20])[Cl:15])[O:22]3 |
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