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
COC(=O)c1cc(C(O)CN2CCN(c3ccccc3C)CC2)ccc1O
InChI=1S/C21H26N2O4/c1-15-5-3-4-6-18(15)23-11-9-22(10-12-23)14-20(25)16-7-8-19(24)17(13-16)21(26)27-2/h3-8,13,20,24-25H,9-12,14H2,1-2H3
DHZGOKYRTUXLHK-UHFFFAOYSA-N
370.45