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(Oc1cccc(CN(CCCOc2ccc(F)cc2F)c2nc3ccccc3o2)c1)C(=O)O
InChI=1S/C27H26F2N2O5/c1-2-23(26(32)33)35-20-8-5-7-18(15-20)17-31(27-30-22-9-3-4-10-25(22)36-27)13-6-14-34-24-12-11-19(28)16-21(24)29/h3-5,7-12,15-16,23H,2,6,13-14,17H2,1H3,(H,32,33)
HGYFWXHSYVRIOW-UHFFFAOYSA-N
496.51