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
CC(C)c1c(/C=C/[C@@H](O)C[C@@H](O)CC(=O)[O-])c(-c2ccc(F)cc2)cn1C(C)C.[Na+]
InChI=1S/C23H30FNO4.Na/c1-14(2)23-20(10-9-18(26)11-19(27)12-22(28)29)21(13-25(23)15(3)4)16-5-7-17(24)8-6-16;/h5-10,13-15,18-19,26-27H,11-12H2,1-4H3,(H,28,29);/q;+1/p-1/b10-9+;/t18-,19-;/m1./s1
XTONDCSOJQGSGL-OSWQSNKQSA-M
425.48