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
Cc1c(-c2ccc(O)cc2)nn(-c2ccc(O)cc2)c1-c1ccc(CCCN2CCCCC2)cc1
InChI=1S/C30H33N3O2/c1-22-29(24-11-15-27(34)16-12-24)31-33(26-13-17-28(35)18-14-26)30(22)25-9-7-23(8-10-25)6-5-21-32-19-3-2-4-20-32/h7-18,34-35H,2-6,19-21H2,1H3
XXRGLZUCVWZDBP-UHFFFAOYSA-N
467.61