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(CN(Cc2cccc(CCC(=O)O)c2)S(C)(=O)=O)cc1
InChI=1S/C22H29NO4S/c1-22(2,3)20-11-8-18(9-12-20)15-23(28(4,26)27)16-19-7-5-6-17(14-19)10-13-21(24)25/h5-9,11-12,14H,10,13,15-16H2,1-4H3,(H,24,25)
QQZAPBSSIZZJJM-UHFFFAOYSA-N
403.54