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
Cc1ccc(-c2cc(C(F)(F)F)nn2-c2ccc(S(N)(=O)=O)cc2)c(O)c1
InChI=1S/C17H14F3N3O3S/c1-10-2-7-13(15(24)8-10)14-9-16(17(18,19)20)22-23(14)11-3-5-12(6-4-11)27(21,25)26/h2-9,24H,1H3,(H2,21,25,26)
MGUKBYXVNDLSKG-UHFFFAOYSA-N
397.38