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(=O)/C=C/[C@H](C[C@@H]1CCNC1=O)NC(=O)[C@H](CC1CC1)NC(=O)OCc1ccccc1
InChI=1S/C24H31N3O5/c1-16(28)7-10-20(14-19-11-12-25-22(19)29)26-23(30)21(13-17-8-9-17)27-24(31)32-15-18-5-3-2-4-6-18/h2-7,10,17,19-21H,8-9,11-15H2,1H3,(H,25,29)(H,26,30)(H,27,31)/b10-7+/t19-,20+,21-/m0/s1
RMKKWIQMBAQCJI-DGNNDOOHSA-N
441.53