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
CCCCC[C@](C)(O)C/C=C/[C@H]1CCC(=O)[C@@H]1CCSc1nc(C(=O)O)cs1
InChI=1S/C21H31NO4S2/c1-3-4-5-11-21(2,26)12-6-7-15-8-9-18(23)16(15)10-13-27-20-22-17(14-28-20)19(24)25/h6-7,14-16,26H,3-5,8-13H2,1-2H3,(H,24,25)/b7-6+/t15-,16+,21-/m0/s1
XSQHRDAGSMEMIV-GHPIXTKXSA-N
425.62