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
CCCOc1ccc(C)c(-c2cccc(COc3ccc(OCC(=O)O)c(F)c3)c2)c1
InChI=1S/C25H25FO5/c1-3-11-29-20-8-7-17(2)22(13-20)19-6-4-5-18(12-19)15-30-21-9-10-24(23(26)14-21)31-16-25(27)28/h4-10,12-14H,3,11,15-16H2,1-2H3,(H,27,28)
ZOMQDHLEVLBENQ-UHFFFAOYSA-N
424.47