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
COc1ccc(Sc2c(C(=O)O)n(Cc3ccc4c(c3)OCO4)c3cc4c(cc23)OCO4)cc1OC
InChI=1S/C26H21NO8S/c1-30-18-6-4-15(8-20(18)31-2)36-25-16-9-22-23(35-13-34-22)10-17(16)27(24(25)26(28)29)11-14-3-5-19-21(7-14)33-12-32-19/h3-10H,11-13H2,1-2H3,(H,28,29)
QLKHVLXMFAFDAZ-UHFFFAOYSA-N
507.52