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
COc1ccc(-c2coc3cc(OC(=O)NCCBr)cc(O)c3c2=O)cc1
InChI=1S/C19H16BrNO6/c1-25-12-4-2-11(3-5-12)14-10-26-16-9-13(27-19(24)21-7-6-20)8-15(22)17(16)18(14)23/h2-5,8-10,22H,6-7H2,1H3,(H,21,24)
MFFJXFXUMUVPNE-UHFFFAOYSA-N
434.24