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
COc1ccccc1C(=O)Nc1ccc2c(c1)CN(C(=O)c1cccc(Cl)c1)C(=O)C2
InChI=1S/C24H19ClN2O4/c1-31-21-8-3-2-7-20(21)23(29)26-19-10-9-15-13-22(28)27(14-17(15)12-19)24(30)16-5-4-6-18(25)11-16/h2-12H,13-14H2,1H3,(H,26,29)
BSTDXNRTONCMRM-UHFFFAOYSA-N
434.88