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
C/C(=N\OCc1ccc(-c2ccccc2)cc1)c1ccc(CNCCC(=O)O)cc1
InChI=1S/C25H26N2O3/c1-19(22-11-7-20(8-12-22)17-26-16-15-25(28)29)27-30-18-21-9-13-24(14-10-21)23-5-3-2-4-6-23/h2-14,26H,15-18H2,1H3,(H,28,29)/b27-19+
PWPIIHLTBNNXGM-ZXVVBBHZSA-N
402.49