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
NC(=O)CN[C@H]1CC[C@H](OCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)[C@@H]1c1ccccc1
InChI=1S/C22H22F6N2O2/c23-21(24,25)15-8-13(9-16(10-15)22(26,27)28)12-32-18-7-6-17(30-11-19(29)31)20(18)14-4-2-1-3-5-14/h1-5,8-10,17-18,20,30H,6-7,11-12H2,(H2,29,31)/t17-,18-,20+/m0/s1
FIYPEZLIXJZQOT-CMKODMSKSA-N
460.42