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
Br.O=[N+]([O-])c1cc(C(NCc2ccccc2)P(=O)(O)O)c2nc(O)c(O)nc2c1
InChI=1S/C16H15N4O7P.BrH/c21-14-15(22)19-13-11(6-10(20(23)24)7-12(13)18-14)16(28(25,26)27)17-8-9-4-2-1-3-5-9;/h1-7,16-17H,8H2,(H,18,21)(H,19,22)(H2,25,26,27);1H
TXYFUUZVTQUIJR-UHFFFAOYSA-N
487.2