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
CCO[C@H](COc1ccc(C(F)(F)F)cc1)C[S+]([O-])c1ccc(OCC(=O)O)c(C)c1
InChI=1S/C21H23F3O6S/c1-3-28-17(11-29-16-6-4-15(5-7-16)21(22,23)24)13-31(27)18-8-9-19(14(2)10-18)30-12-20(25)26/h4-10,17H,3,11-13H2,1-2H3,(H,25,26)/t17-,31?/m1/s1
NIFQJGGFYUGBGD-WYXXSATOSA-N
460.47