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
CC/C(=C(\c1ccc(O)cc1)c1cccc(OCCN2CCCCC2)c1)c1ccccc1
InChI=1S/C29H33NO2/c1-2-28(23-10-5-3-6-11-23)29(24-14-16-26(31)17-15-24)25-12-9-13-27(22-25)32-21-20-30-18-7-4-8-19-30/h3,5-6,9-17,22,31H,2,4,7-8,18-21H2,1H3/b29-28-
HQHSOROBGHILJA-ZIADKAODSA-N
427.59