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
CCCCc1ccc(-c2ccc3c4c([nH]c3c2F)-c2ccc(NC(=O)C(=O)O)cc2C4)cc1
InChI=1S/C27H23FN2O3/c1-2-3-4-15-5-7-16(8-6-15)19-11-12-21-22-14-17-13-18(29-26(31)27(32)33)9-10-20(17)24(22)30-25(21)23(19)28/h5-13,30H,2-4,14H2,1H3,(H,29,31)(H,32,33)
KBHMPAXRTWKCOT-UHFFFAOYSA-N
442.49