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
CC1(C)CCc2ncc3c(OCc4ccccc4Cl)n(-c4ccc(Cl)cc4)nc3c2C1
InChI=1S/C25H23Cl2N3O/c1-25(2)12-11-22-19(13-25)23-20(14-28-22)24(31-15-16-5-3-4-6-21(16)27)30(29-23)18-9-7-17(26)8-10-18/h3-10,14H,11-13,15H2,1-2H3
XSXHDMUABOGLFX-UHFFFAOYSA-N
452.39