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(-c2nc3cc(C(=O)O)ccc3[nH]2)cc1OCCc1ccccc1
InChI=1S/C23H20N2O4/c1-28-20-10-8-16(14-21(20)29-12-11-15-5-3-2-4-6-15)22-24-18-9-7-17(23(26)27)13-19(18)25-22/h2-10,13-14H,11-12H2,1H3,(H,24,25)(H,26,27)
RPLYWOYMTQLVSU-UHFFFAOYSA-N
388.42