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)c1cnc2ccc(S(=O)(=O)c3ccccc3)cc2c1Nc1ccccc1
InChI=1S/C22H17N3O3S/c23-22(26)19-14-24-20-12-11-17(29(27,28)16-9-5-2-6-10-16)13-18(20)21(19)25-15-7-3-1-4-8-15/h1-14H,(H2,23,26)(H,24,25)
NJCKKZFNVJMMLN-UHFFFAOYSA-N
403.46