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
CCN(CC)c1ccc(-c2cc(-c3ccc(C(=O)O)cc3)ccc2OCCO)cc1C(C)(C)C
InChI=1S/C29H35NO4/c1-6-30(7-2)26-14-12-23(19-25(26)29(3,4)5)24-18-22(13-15-27(24)34-17-16-31)20-8-10-21(11-9-20)28(32)33/h8-15,18-19,31H,6-7,16-17H2,1-5H3,(H,32,33)
OOTHJAQLAQMOBN-UHFFFAOYSA-N
461.6