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
O=C(Oc1cccc(-c2cc(O)c3cc4c(cc3n2)OCO4)c1)c1ccccc1
InChI=1S/C23H15NO5/c25-20-11-18(24-19-12-22-21(10-17(19)20)27-13-28-22)15-7-4-8-16(9-15)29-23(26)14-5-2-1-3-6-14/h1-12H,13H2,(H,24,25)
LIXXNWFKABMGBZ-UHFFFAOYSA-N
385.38