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
CCn1c(=O)cc(Nc2ccc(Oc3ncc(C(=O)O)s3)cc2)n(Cc2ccc(Cl)cc2)c1=O
InChI=1S/C23H19ClN4O5S/c1-2-27-20(29)11-19(28(23(27)32)13-14-3-5-15(24)6-4-14)26-16-7-9-17(10-8-16)33-22-25-12-18(34-22)21(30)31/h3-12,26H,2,13H2,1H3,(H,30,31)
LBKBEBNJNGGBCD-UHFFFAOYSA-N
498.95