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
Oc1ccc2c(Cc3ccc(OCCN4CCCCC4)cc3)c([C@H]3CC[C@H](O)CC3)sc2c1
InChI=1S/C28H35NO3S/c30-22-8-6-21(7-9-22)28-26(25-13-10-23(31)19-27(25)33-28)18-20-4-11-24(12-5-20)32-17-16-29-14-2-1-3-15-29/h4-5,10-13,19,21-22,30-31H,1-3,6-9,14-18H2/t21-,22-
KWPUNEFDAWLCAX-HZCBDIJESA-N
465.66