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
CC(C)CCOc1cc(OCCCN)cc(-c2ccc(CCC(=O)O)c(CCC(N)=O)c2)c1
InChI=1S/C26H36N2O5/c1-18(2)10-13-33-24-16-22(15-23(17-24)32-12-3-11-27)21-5-4-19(7-9-26(30)31)20(14-21)6-8-25(28)29/h4-5,14-18H,3,6-13,27H2,1-2H3,(H2,28,29)(H,30,31)
GTLQEALGUVPBNN-UHFFFAOYSA-N
456.58