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
Cc1cnc(-c2ccc(OC(F)F)cc2)n1Cc1ccccc1OCCCC(C)CC(=O)O
InChI=1S/C25H28F2N2O4/c1-17(14-23(30)31)6-5-13-32-22-8-4-3-7-20(22)16-29-18(2)15-28-24(29)19-9-11-21(12-10-19)33-25(26)27/h3-4,7-12,15,17,25H,5-6,13-14,16H2,1-2H3,(H,30,31)
IMECUCANUVGFRR-UHFFFAOYSA-N
458.51