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)Cc1sc(N(c2ccccc2)c2ccccc2)nc1-c1ccc(F)cc1
InChI=1S/C23H17FN2O2S/c24-17-13-11-16(12-14-17)22-20(15-21(27)28)29-23(25-22)26(18-7-3-1-4-8-18)19-9-5-2-6-10-19/h1-14H,15H2,(H,27,28)
PONILUFZRIPFJP-UHFFFAOYSA-N
404.47