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
CC(C)(Oc1c(F)cc(Cn2ncn(-c3ccc(OC(F)(F)F)cc3)c2=O)cc1F)C(=O)O
InChI=1S/C20H16F5N3O5/c1-19(2,17(29)30)33-16-14(21)7-11(8-15(16)22)9-28-18(31)27(10-26-28)12-3-5-13(6-4-12)32-20(23,24)25/h3-8,10H,9H2,1-2H3,(H,29,30)
HJQMPJGBCUTSBW-UHFFFAOYSA-N
473.35