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
CC1=CC(C)(C)Nc2ccc3c(c21)C(c1ccc(C)cc1)Oc1ccccc1-3
InChI=1S/C26H25NO/c1-16-9-11-18(12-10-16)25-24-20(19-7-5-6-8-22(19)28-25)13-14-21-23(24)17(2)15-26(3,4)27-21/h5-15,25,27H,1-4H3
NTXRXSSTKKNELF-UHFFFAOYSA-N
367.49