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
NC(=O)c1cc(C(O)CNCC2COc3ccccc3O2)ccc1O
InChI=1S/C18H20N2O5/c19-18(23)13-7-11(5-6-14(13)21)15(22)9-20-8-12-10-24-16-3-1-2-4-17(16)25-12/h1-7,12,15,20-22H,8-10H2,(H2,19,23)
OPRZKULXAYAKPF-UHFFFAOYSA-N
344.37