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
CN1CC2CC1C[C@H](OC(=O)C(O)(c1ccccc1)c1ccccc1)C2
InChI=1S/C22H25NO3/c1-23-15-16-12-19(23)14-20(13-16)26-21(24)22(25,17-8-4-2-5-9-17)18-10-6-3-7-11-18/h2-11,16,19-20,25H,12-15H2,1H3/t16?,19?,20-/m1/s1
XXWOCVWJOICKHA-RRWXTXHCSA-N
351.45