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
CCCC[C@](C)(O)C/C=C/[C@H]1CCC(=O)[C@@H]1CCSc1nc(C(=O)O)cs1
InChI=1S/C20H29NO4S2/c1-3-4-10-20(2,25)11-5-6-14-7-8-17(22)15(14)9-12-26-19-21-16(13-27-19)18(23)24/h5-6,13-15,25H,3-4,7-12H2,1-2H3,(H,23,24)/b6-5+/t14-,15+,20-/m0/s1
MVWBRJCSHVIQES-CUJCATKOSA-N
411.59