| Properties | Image |
|---|
| MNX_ID | MNXM1183274 |
 |
| reference | envipathM:...08a93ecfa8f0 |
| formula | C12H12Cl3O5 |
| global charge | -1 |
| mol weight | 342.582 |
| InChIKey | FCCXZCGBRMXUAC-UHFFFAOYSA-M |
| InChI | InChI=1S/C12H13Cl3O5/c13-3-1-11(14)2-12(3,15)7-5(10(19)20)8(16)4(6(7)11)9(17)18/h1,4-8,10,16,19-20H,2H2,(H,17,18)/p-1 |
| SMILES | O=C([O-])C1C(O)C(C(O)O)C2C1C1(Cl)C=C(Cl)C2(Cl)C1 |
MNX internals
| InChI (mnx) | InChI=1/C12H13Cl3O5/c13-3-1-11(14)2-12(3,15)7-5(10(19)20)8(16)4(6(7)11)9(17)18/h1,4-8,10,16,19-20H,2H2,(H,17,18)/t4?,5?,6?,7?,8?,11?,12? |
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| SMILES (mnx) | [CH:1]1=[C:3]([Cl:13])[C:12]2([Cl:15])[CH2:2][C:11]1([Cl:14])[CH:6]1[CH:4]([C:9](=[O:17])[OH:18])[CH:8]([OH:16])[CH:5]([CH:10]([OH:19])[OH:20])[CH:7]12 |
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