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)[C@@H]1CC[C@H](OCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)[C@H]1c1ccccc1
InChI=1S/C21H19F6NO2/c22-20(23,24)14-8-12(9-15(10-14)21(25,26)27)11-30-17-7-6-16(19(28)29)18(17)13-4-2-1-3-5-13/h1-5,8-10,16-18H,6-7,11H2,(H2,28,29)/t16-,17+,18+/m1/s1
NNBAOMPIMXODPQ-SQNIBIBYSA-N
431.38