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)c1cccc(C(C)C)c1NC(=O)CC(=O)CCCCCCCCCCOC1CCOCC1
InChI=1S/C30H49NO4/c1-23(2)27-15-13-16-28(24(3)4)30(27)31-29(33)22-25(32)14-11-9-7-5-6-8-10-12-19-35-26-17-20-34-21-18-26/h13,15-16,23-24,26H,5-12,14,17-22H2,1-4H3,(H,31,33)
DDIWBOUZXGLBHS-UHFFFAOYSA-N
487.73