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
CCN(CCCCCCNC1=CC(=O)C(NCCCCCCN(CC)Cc2cccs2)=CC1=O)Cc1cccs1
InChI=1S/C32H48N4O2S2/c1-3-35(25-27-15-13-21-39-27)19-11-7-5-9-17-33-29-23-32(38)30(24-31(29)37)34-18-10-6-8-12-20-36(4-2)26-28-16-14-22-40-28/h13-16,21-24,33-34H,3-12,17-20,25-26H2,1-2H3
HNOUEYJFOGZGJQ-UHFFFAOYSA-N
584.9