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
NC(=O)CCSC(SCCC(=O)O)c1cccc(/C=C/c2ccc3ccc(Cl)cc3n2)c1
InChI=1S/C24H23ClN2O3S2/c25-19-7-5-17-6-9-20(27-21(17)15-19)8-4-16-2-1-3-18(14-16)24(31-12-10-22(26)28)32-13-11-23(29)30/h1-9,14-15,24H,10-13H2,(H2,26,28)(H,29,30)/b8-4+
GFLLPUKOZOHDNV-XBXARRHUSA-N
487.05