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
COc1cc(/C=C/C(=O)NCCNc2c3c(nc4ccccc24)CCCC3)ccc1OCCO[N+](=O)[O-]
InChI=1S/C27H30N4O6/c1-35-25-18-19(10-12-24(25)36-16-17-37-31(33)34)11-13-26(32)28-14-15-29-27-20-6-2-4-8-22(20)30-23-9-5-3-7-21(23)27/h2,4,6,8,10-13,18H,3,5,7,9,14-17H2,1H3,(H,28,32)(H,29,30)/b13-11+
PSMMLTDOFSEEAG-ACCUITESSA-N
506.56