| Properties | Image |
| MNX_ID | MNXM151355 |
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| reference | chebi:75506 |
| formula | C14H15BrClNO6 |
| global charge | 0 |
| mol weight | 408.632 |
| InChIKey | OPIFSICVWOWJMJ-YGEXGZRRSA-N |
| InChI | InChI=1S/C14H15BrClNO6/c15-5-1-2-6-9(10(5)16)7(3-17-6)22-14-13(21)12(20)11(19)8(4-18)23-14/h1-3,8,11-14,17-21H,4H2/t8-,11+,12+,13-,14+/m1/s1 |
| SMILES | OC[C@H]1O[C@H](OC2=CNC3=C2C(Cl)=C(Br)C=C3)[C@H](O)[C@@H](O)[C@H]1O |
MNX internals
| InChI (mnx) | InChI=1/C14H15BrClNO6/c15-5-1-2-6-9(10(5)16)7(3-17-6)22-14-13(21)12(20)11(19)8(4-18)23-14/h1-3,8,11-14,17-21H,4H2/t8-,11+,12+,13-,14+/m1/s1 |
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| SMILES (mnx) | [CH:1]1=[CH:2][C:6]2=[C:9]([C:7]([O:22][C@@H:14]3[C@H:13]([OH:21])[C@@H:12]([OH:20])[C@@H:11]([OH:19])[C@@H:8]([CH2:4][OH:18])[O:23]3)=[CH:3][NH:17]2)[C:10]([Cl:16])=[C:5]1[Br:15] |
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