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)CNC(=O)c1ncc(C#CCOCc2ccc(Cl)cc2)cc1O
InChI=1S/C18H15ClN2O5/c19-14-5-3-12(4-6-14)11-26-7-1-2-13-8-15(22)17(20-9-13)18(25)21-10-16(23)24/h3-6,8-9,22H,7,10-11H2,(H,21,25)(H,23,24)
BPEGGVWMZVSXMO-UHFFFAOYSA-N
374.78