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(C[n+]2cccc(CCCCCCCCCCCCCI)c2)cc1.[I-]
InChI=1S/C26H39INO.HI/c1-29-26-18-16-25(17-19-26)23-28-21-13-15-24(22-28)14-11-9-7-5-3-2-4-6-8-10-12-20-27;/h13,15-19,21-22H,2-12,14,20,23H2,1H3;1H/q+1;/p-1
TYNCREWENOYPPM-UHFFFAOYSA-M
635.41