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(C)cc1C1(C(=O)NS(=O)(=O)c2cccc3nc(C)ccc23)CC1c1cccc(C(F)(F)F)c1
InChI=1S/C29H25F3N2O4S/c1-17-10-13-25(38-3)22(14-17)28(16-23(28)19-6-4-7-20(15-19)29(30,31)32)27(35)34-39(36,37)26-9-5-8-24-21(26)12-11-18(2)33-24/h4-15,23H,16H2,1-3H3,(H,34,35)
NMJHKGBZHSCYIO-UHFFFAOYSA-N
554.59