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=S(=O)(Nc1c(S(=O)(=O)c2ccccc2)c2nc3ccccc3nc2n1C1CCCCC1)c1ccccc1
InChI=1S/C28H26N4O4S2/c33-37(34,21-14-6-2-7-15-21)26-25-27(30-24-19-11-10-18-23(24)29-25)32(20-12-4-1-5-13-20)28(26)31-38(35,36)22-16-8-3-9-17-22/h2-3,6-11,14-20,31H,1,4-5,12-13H2
LJYSHLYMYQNADO-UHFFFAOYSA-N
546.67