| Properties | Image |
MNX_ID | MNXM104186 |
 |
reference | chebi:69693 |
formula | C12H12O4 |
global charge | 0 |
mol weight | 220.224 |
InChIKey | YFFBGKSSWQKSMK-UHFFFAOYSA-N |
InChI | InChI=1S/C12H12O4/c1-12(16)9-3-4-10(14)8(6-13)7(9)2-5-11(12)15/h2-5,13-14,16H,6H2,1H3 |
SMILES | CC1(O)C(=O)C=CC2=C(CO)C(O)=CC=C21 |
MNX internals
InChI (mnx) | InChI=1/C12H12O4/c1-12(16)9-3-4-10(14)8(6-13)7(9)2-5-11(12)15/h2-5,13-14,16H,6H2,1H3/t12? |
 |
SMILES (mnx) | [CH3:1][C:12]1([OH:16])[C:9]2=[CH:3][CH:4]=[C:10]([OH:14])[C:8]([CH2:6][OH:13])=[C:7]2[CH:2]=[CH:5][C:11]1=[O:15] |
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