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
CCCc1nc(CC)c(C(=O)OCc2ccccc2C(=O)c2ccccc2)n1Cc1ccc(-c2ccccc2S(=O)(=O)NC(=O)OCC(C)C)cc1F
InChI=1S/C41H42FN3O7S/c1-5-14-37-43-35(6-2)38(40(47)51-26-31-17-10-11-19-33(31)39(46)28-15-8-7-9-16-28)45(37)24-30-22-21-29(23-34(30)42)32-18-12-13-20-36(32)53(49,50)44-41(48)52-25-27(3)4/h7-13,15-23,27H,5-6,14,24-26H2,1-4H3,(H,44,48)
RQADEKNPQZFEDJ-UHFFFAOYSA-N
739.87