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=C(CN1CCCC(c2nc3cc(Cl)c(F)cc3[nH]2)C1)c1cc(Cl)cc(Cl)c1
InChI=1S/C20H17Cl3FN3O/c21-13-4-12(5-14(22)6-13)19(28)10-27-3-1-2-11(9-27)20-25-17-7-15(23)16(24)8-18(17)26-20/h4-8,11H,1-3,9-10H2,(H,25,26)
RQTUULZRCDYTFI-UHFFFAOYSA-N
440.73