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(O)Cc1cc(Cl)c(Oc2ccc(O)c(-c3cccc(OC(F)F)c3)c2)c(Cl)c1
InChI=1S/C21H14Cl2F2O5/c22-16-6-11(8-19(27)28)7-17(23)20(16)29-14-4-5-18(26)15(10-14)12-2-1-3-13(9-12)30-21(24)25/h1-7,9-10,21,26H,8H2,(H,27,28)
LLOQXWVSGHOFBE-UHFFFAOYSA-N
455.24