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
CCC(Oc1cccc(CN(CCCOc2ccccc2)c2nc3cc4c(cc3o2)OCO4)c1)C(=O)O
InChI=1S/C28H28N2O7/c1-2-23(27(31)32)36-21-11-6-8-19(14-21)17-30(12-7-13-33-20-9-4-3-5-10-20)28-29-22-15-25-26(35-18-34-25)16-24(22)37-28/h3-6,8-11,14-16,23H,2,7,12-13,17-18H2,1H3,(H,31,32)
ZJHMLHBLYRTTLG-UHFFFAOYSA-N
504.54