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
Cc1n[nH]c(C)c1CCCOc1cc(OCCCCCCNCCOCCOCCN=[N+]=[N-])cc(C(=O)O)c1
InChI=1S/C27H42N6O6/c1-21-26(22(2)32-31-21)8-7-13-39-25-19-23(27(34)35)18-24(20-25)38-12-6-4-3-5-9-29-10-14-36-16-17-37-15-11-30-33-28/h18-20,29H,3-17H2,1-2H3,(H,31,32)(H,34,35)
NKZBNEFITGEELT-UHFFFAOYSA-N
546.67