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(=O)(=O)c2nccs2)cc1
InChI=1S/C24H28N2O4S2/c1-24(2,3)21-10-7-19(8-11-21)16-26(32(29,30)23-25-13-14-31-23)17-20-6-4-5-18(15-20)9-12-22(27)28/h4-8,10-11,13-15H,9,12,16-17H2,1-3H3,(H,27,28)
WVDZQCYXZZHZIL-UHFFFAOYSA-N
472.63