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(NC(=O)C1CCCCC1S)C(=O)N1CCCC1C(=O)O
InChI=1S/C15H24N2O4S/c1-9(14(19)17-8-4-6-11(17)15(20)21)16-13(18)10-5-2-3-7-12(10)22/h9-12,22H,2-8H2,1H3,(H,16,18)(H,20,21)
GUCVFMVKCYXYNT-UHFFFAOYSA-N
328.43