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)c1cc(Oc2c(Br)cc3nc(C(=O)O)cc(O)c3c2Br)ccc1O
InChI=1S/C19H15Br2NO5/c1-8(2)10-5-9(3-4-14(10)23)27-18-11(20)6-12-16(17(18)21)15(24)7-13(22-12)19(25)26/h3-8,23H,1-2H3,(H,22,24)(H,25,26)
DXDHCVCAJKZAHT-UHFFFAOYSA-N
497.14