Identifier Cleaner
Convert between SMILES, InChI, InChIKey, and compound names. Supports PubChem name resolution as a fallback when the input is a common drug name.
Example: aspirin
→ CC(=O)Oc1ccccc1C(=O)O
O=C1CC2(CCCC2)CC(=O)N1CCN1CCN(c2ccc(F)cc2F)CC1
InChI=1S/C21H27F2N3O2/c22-16-3-4-18(17(23)13-16)25-10-7-24(8-11-25)9-12-26-19(27)14-21(15-20(26)28)5-1-2-6-21/h3-4,13H,1-2,5-12,14-15H2
NQYDFNJSOIGZSU-UHFFFAOYSA-N
391.46