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
CC/C(=C(/c1ccc(N)cc1)c1ccc(OCCN2CCCC2)cc1)c1ccccc1
InChI=1S/C28H32N2O/c1-2-27(22-8-4-3-5-9-22)28(23-10-14-25(29)15-11-23)24-12-16-26(17-13-24)31-21-20-30-18-6-7-19-30/h3-5,8-17H,2,6-7,18-21,29H2,1H3/b28-27+
BHODRSKPPDCNNF-BYYHNAKLSA-N
412.58