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
CCN(CC)c1ccc(-c2cc(-c3ccc(C(=O)O)cc3)ccc2OCCCO)cc1C(C)(C)C
InChI=1S/C30H37NO4/c1-6-31(7-2)27-15-13-24(20-26(27)30(3,4)5)25-19-23(14-16-28(25)35-18-8-17-32)21-9-11-22(12-10-21)29(33)34/h9-16,19-20,32H,6-8,17-18H2,1-5H3,(H,33,34)
LFCLXIGIFPQKGO-UHFFFAOYSA-N
475.63