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(OCCCC(C)CC(=O)O)c(Cn2c(C)cnc2-c2ccc(C(F)(F)F)cc2)c1
InChI=1S/C26H29F3N2O3/c1-17(14-24(32)33)5-4-12-34-23-11-6-18(2)13-21(23)16-31-19(3)15-30-25(31)20-7-9-22(10-8-20)26(27,28)29/h6-11,13,15,17H,4-5,12,14,16H2,1-3H3,(H,32,33)
ROVHBRPSOWEPLO-UHFFFAOYSA-N
474.52