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
O=C(O)CC1OCCn2c1cc1cc(OCc3ccc(OC(CF)CF)c(Cl)c3)ccc12
InChI=1S/C23H22ClF2NO5/c24-18-7-14(1-4-21(18)32-17(11-25)12-26)13-31-16-2-3-19-15(8-16)9-20-22(10-23(28)29)30-6-5-27(19)20/h1-4,7-9,17,22H,5-6,10-13H2,(H,28,29)
UBFSSVINRBUTSJ-UHFFFAOYSA-N
465.88