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
COc1cc(/C=C/C(=O)NCCCCCCCCNc2c3c(nc4ccccc24)CCCC3)ccc1OCCCCCCO[N+](=O)[O-]
InChI=1S/C37H50N4O6/c1-45-35-28-29(20-22-34(35)46-26-14-6-7-15-27-47-41(43)44)21-23-36(42)38-24-12-4-2-3-5-13-25-39-37-30-16-8-10-18-32(30)40-33-19-11-9-17-31(33)37/h8,10,16,18,20-23,28H,2-7,9,11-15,17,19,24-27H2,1H3,(H,38,42)(H,39,40)/b23-21+
QQFGVNJQUPSBQA-XTQSDGFTSA-N
646.83