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(C(F)(F)F)cc2)n1Cc1ccccc1OCCCCCC(=O)O
InChI=1S/C24H25F3N2O3/c1-17-15-28-23(18-10-12-20(13-11-18)24(25,26)27)29(17)16-19-7-4-5-8-21(19)32-14-6-2-3-9-22(30)31/h4-5,7-8,10-13,15H,2-3,6,9,14,16H2,1H3,(H,30,31)
JOMHCZPJOKUGBR-UHFFFAOYSA-N
446.47