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
COc1ccc(Cn2c(CCCc3ccc(OC(C)(C)C(=O)O)cc3)nn(Cc3ccc(C)cc3)c2=O)cc1
InChI=1S/C31H35N3O5/c1-22-8-10-25(11-9-22)21-34-30(37)33(20-24-14-16-26(38-4)17-15-24)28(32-34)7-5-6-23-12-18-27(19-13-23)39-31(2,3)29(35)36/h8-19H,5-7,20-21H2,1-4H3,(H,35,36)
YAUJWAYNDLEEDU-UHFFFAOYSA-N
529.64