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
C/C(=N\OCc1ccc(C2CCCCC2)c(C(F)(F)F)c1)c1ccc(CN2CC(C(=O)O)C2)c(C)c1
InChI=1S/C28H33F3N2O3/c1-18-12-22(9-10-23(18)14-33-15-24(16-33)27(34)35)19(2)32-36-17-20-8-11-25(21-6-4-3-5-7-21)26(13-20)28(29,30)31/h8-13,21,24H,3-7,14-17H2,1-2H3,(H,34,35)/b32-19+
GCWXAXRCSPZYSS-BIZUNTBRSA-N
502.58