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)CCc1c(Cc2ccccc2)ccc2c1CCC(NS(=O)(=O)c1ccc(Cl)cc1)C2
InChI=1S/C26H26ClNO4S/c27-21-8-11-23(12-9-21)33(31,32)28-22-10-13-24-20(17-22)7-6-19(25(24)14-15-26(29)30)16-18-4-2-1-3-5-18/h1-9,11-12,22,28H,10,13-17H2,(H,29,30)
ZNHWUPTZUNBCFX-UHFFFAOYSA-N
484.02