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
FC(F)(F)c1cc(CO[C@H]2CC[C@@H](CN3CCOCC3)[C@@H]2c2ccccc2)cc(C(F)(F)F)c1
InChI=1S/C25H27F6NO2/c26-24(27,28)20-12-17(13-21(14-20)25(29,30)31)16-34-22-7-6-19(15-32-8-10-33-11-9-32)23(22)18-4-2-1-3-5-18/h1-5,12-14,19,22-23H,6-11,15-16H2/t19-,22-,23-/m0/s1
MCZABOOQUVJJJL-VJBMBRPKSA-N
487.48