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
Cl.O=C1COc2c(C(O)CNCCCc3ccccc3F)ccc(O)c2N1
InChI=1S/C19H21FN2O4.ClH/c20-14-6-2-1-4-12(14)5-3-9-21-10-16(24)13-7-8-15(23)18-19(13)26-11-17(25)22-18;/h1-2,4,6-8,16,21,23-24H,3,5,9-11H2,(H,22,25);1H
JSXBNGCONRCKRJ-UHFFFAOYSA-N
396.85