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)c1ccc(/C=C/c2ccc(OCCCC(C)(C)C(=O)O)cc2)cc1
InChI=1S/C24H30O3/c1-18(2)21-12-8-19(9-13-21)6-7-20-10-14-22(15-11-20)27-17-5-16-24(3,4)23(25)26/h6-15,18H,5,16-17H2,1-4H3,(H,25,26)/b7-6+
FBUVZLRZPUUMMH-VOTSOKGWSA-N
366.5