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)(Cc1ccc(-c2ccccc2)cc1)NCC(O)c1ccc(O)c2c1OCC(=O)N2
InChI=1S/C26H28N2O4/c1-26(2,14-17-8-10-19(11-9-17)18-6-4-3-5-7-18)27-15-22(30)20-12-13-21(29)24-25(20)32-16-23(31)28-24/h3-13,22,27,29-30H,14-16H2,1-2H3,(H,28,31)
DUCGRYYHGISZDT-UHFFFAOYSA-N
432.52