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
CCCCCNC(=O)/N=C(\N)NCCCc1nnc(N)s1.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F
InChI=1S/C12H23N7OS.2C2HF3O2/c1-2-3-4-7-16-12(20)17-10(13)15-8-5-6-9-18-19-11(14)21-9;2*3-2(4,5)1(6)7/h2-8H2,1H3,(H2,14,19)(H4,13,15,16,17,20);2*(H,6,7)
WPIVDYCRNVUSIY-UHFFFAOYSA-N
541.48