| Properties | Image |
|---|
| MNX_ID | MNXM1198177 |
 |
| reference | envipathM:...890353e372de |
| formula | C13H11O7 |
| global charge | -1 |
| mol weight | 279.224 |
| InChIKey | KNKPTFKXIJHPLI-UHFFFAOYSA-M |
| InChI | InChI=1S/C13H12O7/c1-20-8-2-3-9(11(16)6-8)10(15)4-7(14)5-12(17)13(18)19/h2-3,6,16H,4-5H2,1H3,(H,18,19)/p-1 |
| SMILES | COC1=CC=C(C(=O)CC(=O)CC(=O)C(=O)[O-])C(O)=C1 |
MNX internals
| InChI (mnx) | InChI=1/C13H12O7/c1-20-8-2-3-9(11(16)6-8)10(15)4-7(14)5-12(17)13(18)19/h2-3,6,16H,4-5H2,1H3,(H,18,19) |
 |
| SMILES (mnx) | [CH3:1][O:20][C:8]1=[CH:6][C:11]([OH:16])=[C:9]([C:10]([CH2:4][C:7]([CH2:5][C:12]([C:13]([OH:18])=[O:19])=[O:17])=[O:14])=[O:15])[CH:3]=[CH:2]1 |
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