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
Cc1cc(=O)[nH]c2ccc(OCCCCN3CCN(c4cccc5sccc45)CC3)cc12
InChI=1S/C26H29N3O2S/c1-19-17-26(30)27-23-8-7-20(18-22(19)23)31-15-3-2-10-28-11-13-29(14-12-28)24-5-4-6-25-21(24)9-16-32-25/h4-9,16-18H,2-3,10-15H2,1H3,(H,27,30)
XVWAQKVKYOOITD-UHFFFAOYSA-N
447.6