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
COc1ccc(-c2nc3cc(C(=O)O)ccc3[nH]2)cc1OC1CC2CCC1C2
InChI=1S/C22H22N2O4/c1-27-18-7-5-14(11-20(18)28-19-9-12-2-3-13(19)8-12)21-23-16-6-4-15(22(25)26)10-17(16)24-21/h4-7,10-13,19H,2-3,8-9H2,1H3,(H,23,24)(H,25,26)
RJSXJUGBWBWHSB-UHFFFAOYSA-N
378.43