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
CC(=O)Oc1ccc(-c2cc(C(F)(F)F)nn2-c2ccc(S(N)(=O)=O)cc2)cc1
InChI=1S/C18H14F3N3O4S/c1-11(25)28-14-6-2-12(3-7-14)16-10-17(18(19,20)21)23-24(16)13-4-8-15(9-5-13)29(22,26)27/h2-10H,1H3,(H2,22,26,27)
JJVIZYYWELEUHH-UHFFFAOYSA-N
425.39