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
Cn1cc2c3c(c[nH]c3c1=O)CN(c1ccc(F)cc1)c1ccc(CS(C)(=O)=O)cc1-2
InChI=1S/C23H20FN3O3S/c1-26-12-19-18-9-14(13-31(2,29)30)3-8-20(18)27(17-6-4-16(24)5-7-17)11-15-10-25-22(21(15)19)23(26)28/h3-10,12,25H,11,13H2,1-2H3
XGXZJWFQBZMXON-UHFFFAOYSA-N
437.5