| Properties | Image |
|---|
| MNX_ID | MNXM113813 |
 |
| reference | chebi:66344 |
| formula | C21H12Br2O6 |
| global charge | 0 |
| mol weight | 520.129 |
| InChIKey | MUCAQKAQNJJHBH-UHFFFAOYSA-N |
| InChI | InChI=1S/C21H12Br2O6/c22-11-4-7(5-13(24)17(11)26)3-10-9-2-1-8-6-12(23)18(27)20-14(8)15(9)21(29-20)19(28)16(10)25/h1-2,4-6,24-28H,3H2 |
| SMILES | OC1=C(O)C(Br)=CC(CC2=C3C=CC4=C5C(=C(O)C(Br)=C4)OC(=C35)C(O)=C2O)=C1 |
MNX internals
| InChI (mnx) | InChI=1/C21H12Br2O6/c22-11-4-7(5-13(24)17(11)26)3-10-9-2-1-8-6-12(23)18(27)20-14(8)15(9)21(29-20)19(28)16(10)25/h1-2,4-6,24-28H,3H2 |
 |
| SMILES (mnx) | [CH:1]1=[CH:2][C:9]2=[C:10]([CH2:3][C:7]3=[CH:4][C:11]([Br:22])=[C:17]([OH:26])[C:13]([OH:24])=[CH:5]3)[C:16]([OH:25])=[C:19]([OH:28])[C:21]3=[C:15]2[C:14]2=[C:20]([C:18]([OH:27])=[C:12]([Br:23])[CH:6]=[C:8]12)[O:29]3 |
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