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(Oc2cccc(CCNC[C@H](O)c3cccc(Cl)c3)c2)cc1C(=O)O
InChI=1S/C24H24ClNO5/c1-30-23-9-8-20(14-21(23)24(28)29)31-19-7-2-4-16(12-19)10-11-26-15-22(27)17-5-3-6-18(25)13-17/h2-9,12-14,22,26-27H,10-11,15H2,1H3,(H,28,29)/t22-/m0/s1
IRWQJEBYCCPYPX-QFIPXVFZSA-N
441.91