| Properties | Image |
|---|
| MNX_ID | MNXM1194956 |
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| reference | envipathM:...7cd140d7df3c |
| formula | C12H12Cl4O5 |
| global charge | 0 |
| mol weight | 378.035 |
| InChIKey | NTNAHXAWBZTPFA-UHFFFAOYSA-N |
| InChI | InChI=1S/C12H12Cl4O5/c13-4-2-9(14)10(20)3-1-8(19,7(18)5(3)17)11(10,21)6(4)12(9,15)16/h3-6,17,19-21H,1-2H2 |
| SMILES | O=C1C(O)C2CC1(O)C1(O)C3C(Cl)CC(Cl)(C3(Cl)Cl)C21O |
MNX internals
| InChI (mnx) | InChI=1/C12H12Cl4O5/c13-4-2-9(14)10(20)3-1-8(19,7(18)5(3)17)11(10,21)6(4)12(9,15)16/h3-6,17,19-21H,1-2H2/t3?,4?,5?,6?,8?,9?,10?,11? |
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| SMILES (mnx) | [CH2:1]1[CH:3]2[CH:5]([OH:17])[C:7](=[O:18])[C:8]1([OH:19])[C:11]1([OH:21])[CH:6]3[CH:4]([Cl:13])[CH2:2][C:9]([Cl:14])([C:10]21[OH:20])[C:12]3([Cl:15])[Cl:16] |
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