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(-c2coc3cc(OCCN4C(=O)c5ccccc5C4=O)ccc3c2=O)cc1
InChI=1S/C26H19NO6/c1-31-17-8-6-16(7-9-17)22-15-33-23-14-18(10-11-21(23)24(22)28)32-13-12-27-25(29)19-4-2-3-5-20(19)26(27)30/h2-11,14-15H,12-13H2,1H3
KHKJAKSQYBCLMQ-UHFFFAOYSA-N
441.44