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
COc1cc(C)c2[nH]ccc2c1CN1CCC(C)(C)CC1c1ccc(C(=O)O)cc1
InChI=1S/C25H30N2O3/c1-16-13-22(30-4)20(19-9-11-26-23(16)19)15-27-12-10-25(2,3)14-21(27)17-5-7-18(8-6-17)24(28)29/h5-9,11,13,21,26H,10,12,14-15H2,1-4H3,(H,28,29)
BJJYQBOFWNDASV-UHFFFAOYSA-N
406.53