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
Cc1cc(F)ccc1C(=O)c1sc2cc(F)ccc2c1Oc1ccc(/C=C/C(=O)O)cc1
InChI=1S/C25H16F2O4S/c1-14-12-16(26)5-9-19(14)23(30)25-24(20-10-6-17(27)13-21(20)32-25)31-18-7-2-15(3-8-18)4-11-22(28)29/h2-13H,1H3,(H,28,29)/b11-4+
IXGWYFDWRFHSDJ-NYYWCZLTSA-N
450.46