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
CCCN(CCC)CCCCOc1ccc(/C=C/c2nc3ccccc3o2)cc1.Cl
InChI=1S/C25H32N2O2.ClH/c1-3-17-27(18-4-2)19-7-8-20-28-22-14-11-21(12-15-22)13-16-25-26-23-9-5-6-10-24(23)29-25;/h5-6,9-16H,3-4,7-8,17-20H2,1-2H3;1H/b16-13+;
XHXXJKHSSRYPCF-ZUQRMPMESA-N
429.0