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(Nc1ccccc1O)c1ccc(Oc2cccc(C(=O)Nc3ccccc3O)c2)cc1
InChI=1S/C26H20N2O5/c29-23-10-3-1-8-21(23)27-25(31)17-12-14-19(15-13-17)33-20-7-5-6-18(16-20)26(32)28-22-9-2-4-11-24(22)30/h1-16,29-30H,(H,27,31)(H,28,32)
ARMUMDQSBHKWPS-UHFFFAOYSA-N
440.46