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)(Oc1ccc(CCNCC(O)c2ccccc2)cc1)C(=O)O
InChI=1S/C20H25NO4/c1-20(2,19(23)24)25-17-10-8-15(9-11-17)12-13-21-14-18(22)16-6-4-3-5-7-16/h3-11,18,21-22H,12-14H2,1-2H3,(H,23,24)
YVMCTMBAWCBDJV-UHFFFAOYSA-N
343.42