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
CCC(OCCCc1ccccc1)(C(=O)NCCCc1ccccc1)c1ccccc1
InChI=1S/C28H33NO2/c1-2-28(26-20-10-5-11-21-26,31-23-13-19-25-16-8-4-9-17-25)27(30)29-22-12-18-24-14-6-3-7-15-24/h3-11,14-17,20-21H,2,12-13,18-19,22-23H2,1H3,(H,29,30)
VMGOPYGPNOSTAJ-UHFFFAOYSA-N
415.58