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)OCC(=O)c2ccccc2)n1Cc1ccc(-c2ccccc2S(=O)(=O)NC(=O)OCCC(C)C)cc1F
InChI=1S/C36H40FN3O7S/c1-5-12-33-38-30(6-2)34(35(42)47-23-31(41)25-13-8-7-9-14-25)40(33)22-27-18-17-26(21-29(27)37)28-15-10-11-16-32(28)48(44,45)39-36(43)46-20-19-24(3)4/h7-11,13-18,21,24H,5-6,12,19-20,22-23H2,1-4H3,(H,39,43)
IBRQDSKNQMZKID-UHFFFAOYSA-N
677.8