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(OC1CCN(Cc2ccc(F)cc2)CC1)C(O)(c1ccccc1)c1ccccc1
InChI=1S/C26H26FNO3/c27-23-13-11-20(12-14-23)19-28-17-15-24(16-18-28)31-25(29)26(30,21-7-3-1-4-8-21)22-9-5-2-6-10-22/h1-14,24,30H,15-19H2
VFMONUOYFULIIW-UHFFFAOYSA-N
419.5