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
Cc1cccc(CN(C(=O)C2CCCC2)c2ccc(CC(=O)NCc3ccc(C(C)C)cc3)cc2)c1
InChI=1S/C32H38N2O2/c1-23(2)28-15-11-26(12-16-28)21-33-31(35)20-25-13-17-30(18-14-25)34(32(36)29-9-4-5-10-29)22-27-8-6-7-24(3)19-27/h6-8,11-19,23,29H,4-5,9-10,20-22H2,1-3H3,(H,33,35)
KIQDYNHZDNLJSI-UHFFFAOYSA-N
482.67