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(OC(COc2ccc(C(F)(F)F)cc2)CSc2ccc(OCC(=O)O)c(C)c2)cc1
InChI=1S/C26H25F3O6S/c1-17-13-23(11-12-24(17)34-15-25(30)31)36-16-22(35-21-9-7-19(32-2)8-10-21)14-33-20-5-3-18(4-6-20)26(27,28)29/h3-13,22H,14-16H2,1-2H3,(H,30,31)
MXNLHAGXHFWJTB-UHFFFAOYSA-N
522.54