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
COc1ccc(-c2nc3cc(C(=O)O)ccc3[nH]2)cc1OC1CCCC1
InChI=1S/C20H20N2O4/c1-25-17-9-7-12(11-18(17)26-14-4-2-3-5-14)19-21-15-8-6-13(20(23)24)10-16(15)22-19/h6-11,14H,2-5H2,1H3,(H,21,22)(H,23,24)
XKCQUKPXCRLNRV-UHFFFAOYSA-N
352.39