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
Oc1ccc2c(Oc3ccc(OCCN4CCCCC4)cc3)c(-c3ccc(F)cc3)sc2c1
InChI=1S/C27H26FNO3S/c28-20-6-4-19(5-7-20)27-26(24-13-8-21(30)18-25(24)33-27)32-23-11-9-22(10-12-23)31-17-16-29-14-2-1-3-15-29/h4-13,18,30H,1-3,14-17H2
UXOKNLLQRMTSSJ-UHFFFAOYSA-N
463.57