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[C@H]1CN2CCC1CC2)N1CCc2ccccc2[C@@H]1c1ccsc1
InChI=1S/C21H24N2O2S/c24-21(25-19-13-22-9-5-16(19)6-10-22)23-11-7-15-3-1-2-4-18(15)20(23)17-8-12-26-14-17/h1-4,8,12,14,16,19-20H,5-7,9-11,13H2/t19-,20-/m0/s1
JKZSORGVLCRTAY-PMACEKPBSA-N
368.5