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
O=c1ccc2ccc(OCCCCNCC3CC3c3cccc4ccccc34)cc2[nH]1
InChI=1S/C27H28N2O2/c30-27-13-11-20-10-12-22(17-26(20)29-27)31-15-4-3-14-28-18-21-16-25(21)24-9-5-7-19-6-1-2-8-23(19)24/h1-2,5-13,17,21,25,28H,3-4,14-16,18H2,(H,29,30)
PPICFYYJZAROHJ-UHFFFAOYSA-N
412.53