| Properties | Image |
|---|
| MNX_ID | MNXM1186578 |
 |
| reference | envipathM:...fb84f28ee62a |
| formula | C12H10Cl5O7 |
| global charge | -1 |
| mol weight | 443.47 |
| InChIKey | XHWWYNADRSNCKP-UHFFFAOYSA-M |
| InChI | InChI=1S/C12H11Cl5O7/c13-2-3(14)11(17)7(15)9(2,16)6-10(23,8(21)22)4(18)1(5(19)20)12(6,11)24/h1,4-7,18-20,23-24H,(H,21,22)/p-1 |
| SMILES | O=C([O-])C1(O)C(O)C(C(O)O)C2(O)C1C1(Cl)C(Cl)=C(Cl)C2(Cl)C1Cl |
MNX internals
| InChI (mnx) | InChI=1/C12H11Cl5O7/c13-2-3(14)11(17)7(15)9(2,16)6-10(23,8(21)22)4(18)1(5(19)20)12(6,11)24/h1,4-7,18-20,23-24H,(H,21,22)/t1?,4?,6?,7?,9?,10?,11?,12? |
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| SMILES (mnx) | [CH:1]1([CH:5]([OH:19])[OH:20])[CH:4]([OH:18])[C:10]([C:8](=[O:21])[OH:22])([OH:23])[CH:6]2[C:9]3([Cl:16])[C:2]([Cl:13])=[C:3]([Cl:14])[C:11]([Cl:17])([CH:7]3[Cl:15])[C:12]12[OH:24] |
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