| Properties | Image |
| MNX_ID | MNXM100912 |
 |
| reference | chebi:67322 |
| formula | C8H11ClO5 |
| global charge | 0 |
| mol weight | 222.624 |
| InChIKey | AEDMWQPFIPNFCS-JRTVQGFMSA-N |
| InChI | InChI=1S/C8H11ClO5/c1-14-8(13)3-2-4(10)6(11)7(12)5(3)9/h2,4-7,10-12H,1H3/t4-,5+,6+,7-/m1/s1 |
| SMILES | COC(=O)C1=C[C@@H](O)[C@H](O)[C@H](O)[C@H]1Cl |
MNX internals
| InChI (mnx) | InChI=1/C8H11ClO5/c1-14-8(13)3-2-4(10)6(11)7(12)5(3)9/h2,4-7,10-12H,1H3/t4-,5+,6+,7-/m1/s1 |
 |
| SMILES (mnx) | [CH3:1][O:14][C:8]([C:3]1=[CH:2][C@@H:4]([OH:10])[C@H:6]([OH:11])[C@H:7]([OH:12])[C@H:5]1[Cl:9])=[O:13] |
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