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
S=P(Nc1ccc(CCc2ccc(NP(=S)(c3ccccc3)c3ccccc3)cc2)cc1)(c1ccccc1)c1ccccc1
InChI=1S/C38H34N2P2S2/c43-41(35-13-5-1-6-14-35,36-15-7-2-8-16-36)39-33-27-23-31(24-28-33)21-22-32-25-29-34(30-26-32)40-42(44,37-17-9-3-10-18-37)38-19-11-4-12-20-38/h1-20,23-30H,21-22H2,(H,39,43)(H,40,44)
DUNOPKPOTYUVTL-UHFFFAOYSA-N
644.79