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
CCC(Oc1cccc(CCN(CCCOc2ccccc2)c2nc3ccccc3o2)c1)C(=O)O
InChI=1S/C28H30N2O5/c1-2-25(27(31)32)34-23-13-8-10-21(20-23)16-18-30(17-9-19-33-22-11-4-3-5-12-22)28-29-24-14-6-7-15-26(24)35-28/h3-8,10-15,20,25H,2,9,16-19H2,1H3,(H,31,32)
ZXGVZFWJJZQPQY-UHFFFAOYSA-N
474.56