| Properties | Image |
|---|
| MNX_ID | MNXM1175111 |
 |
| reference | envipathM:...be7066e1d332 |
| formula | C12H12Cl5O6 |
| global charge | -1 |
| mol weight | 429.487 |
| InChIKey | VXADHOFRHZGNRD-UHFFFAOYSA-M |
| InChI | InChI=1S/C12H13Cl5O6/c13-5-6(18)11(15)10(23)3(8(21)22)1-2(7(19)20)4(10)9(5,14)12(11,16)17/h2-6,8,18,21-23H,1H2,(H,19,20)/p-1 |
| SMILES | O=C([O-])C1CC(C(O)O)C2(O)C1C1(Cl)C(Cl)C(O)C2(Cl)C1(Cl)Cl |
MNX internals
| InChI (mnx) | InChI=1/C12H13Cl5O6/c13-5-6(18)11(15)10(23)3(8(21)22)1-2(7(19)20)4(10)9(5,14)12(11,16)17/h2-6,8,18,21-23H,1H2,(H,19,20)/t2?,3?,4?,5?,6?,9?,10?,11? |
 |
| SMILES (mnx) | [CH2:1]1[CH:2]([C:7](=[O:19])[OH:20])[CH:4]2[C:9]3([Cl:14])[CH:5]([Cl:13])[CH:6]([OH:18])[C:11]([Cl:15])([C:10]2([OH:23])[CH:3]1[CH:8]([OH:21])[OH:22])[C:12]3([Cl:16])[Cl:17] |
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