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
NS(=O)(=O)c1cc(NC(=O)Cc2ccccc2Cl)ccc1Oc1ccccc1
InChI=1S/C20H17ClN2O4S/c21-17-9-5-4-6-14(17)12-20(24)23-15-10-11-18(19(13-15)28(22,25)26)27-16-7-2-1-3-8-16/h1-11,13H,12H2,(H,23,24)(H2,22,25,26)
ZBUHFMACYYDBSL-UHFFFAOYSA-N
416.89