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
COc1ccc(CCNCC(O)COc2ccc(-c3nc(C)c(Cl)[nH]3)cc2)cc1OC
InChI=1S/C23H28ClN3O4/c1-15-22(24)27-23(26-15)17-5-7-19(8-6-17)31-14-18(28)13-25-11-10-16-4-9-20(29-2)21(12-16)30-3/h4-9,12,18,25,28H,10-11,13-14H2,1-3H3,(H,26,27)
FQEKHKQUOZVDCE-UHFFFAOYSA-N
445.95