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
Cc1cc(C)c2[nH]ccc2c1CN1CC(C)CCC1c1ccc(C(=O)O)cc1
InChI=1S/C24H28N2O2/c1-15-4-9-22(18-5-7-19(8-6-18)24(27)28)26(13-15)14-21-16(2)12-17(3)23-20(21)10-11-25-23/h5-8,10-12,15,22,25H,4,9,13-14H2,1-3H3,(H,27,28)
WBNJATFDACPRHJ-UHFFFAOYSA-N
376.5