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
O=C(O)[C@@H](CC1CCC1)N1C[C@H](CN2CCC(CCSc3ccc(F)cc3)CC2)[C@@H](c2cccc(F)c2)C1
InChI=1S/C31H40F2N2O2S/c32-26-7-9-28(10-8-26)38-16-13-22-11-14-34(15-12-22)19-25-20-35(30(31(36)37)17-23-3-1-4-23)21-29(25)24-5-2-6-27(33)18-24/h2,5-10,18,22-23,25,29-30H,1,3-4,11-17,19-21H2,(H,36,37)/t25-,29+,30+/m0/s1
IIBJTLJAZGFEHF-AWJLRTIGSA-N
542.74