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=C1COc2c(cc(O)cc2C(O)CNCCCc2cccc(O)c2)N1
InChI=1S/C19H22N2O5/c22-13-5-1-3-12(7-13)4-2-6-20-10-17(24)15-8-14(23)9-16-19(15)26-11-18(25)21-16/h1,3,5,7-9,17,20,22-24H,2,4,6,10-11H2,(H,21,25)
CBPGFXFRSHRGIK-UHFFFAOYSA-N
358.39