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
CC(C)(Cc1cccc(C(=O)O)c1)NCC(O)c1ccc(O)c2c1OCC(=O)N2
InChI=1S/C21H24N2O6/c1-21(2,9-12-4-3-5-13(8-12)20(27)28)22-10-16(25)14-6-7-15(24)18-19(14)29-11-17(26)23-18/h3-8,16,22,24-25H,9-11H2,1-2H3,(H,23,26)(H,27,28)
UICJAHNVFDQTOS-UHFFFAOYSA-N
400.43