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(Nc1ccc2c(c1)CN(C(=O)c1cccc(Cl)c1)C(=O)C2)c1cccc(Cl)c1
InChI=1S/C23H16Cl2N2O3/c24-18-5-1-3-15(9-18)22(29)26-20-8-7-14-12-21(28)27(13-17(14)11-20)23(30)16-4-2-6-19(25)10-16/h1-11H,12-13H2,(H,26,29)
DXSOTJFLEFYBEJ-UHFFFAOYSA-N
439.3