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(O)Cc1cc(Cl)c(Oc2ccc(O)c(C(=O)NCc3ccccc3)c2)c(Cl)c1
InChI=1S/C22H17Cl2NO5/c23-17-8-14(10-20(27)28)9-18(24)21(17)30-15-6-7-19(26)16(11-15)22(29)25-12-13-4-2-1-3-5-13/h1-9,11,26H,10,12H2,(H,25,29)(H,27,28)
DBQMSDVEQUDKDW-UHFFFAOYSA-N
446.29