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
CCOC(=O)C(CS)NC(=O)C1CCCCN1C(=O)Cc1c(C)[nH]c2ccc(OC)cc12
InChI=1S/C23H31N3O5S/c1-4-31-23(29)19(13-32)25-22(28)20-7-5-6-10-26(20)21(27)12-16-14(2)24-18-9-8-15(30-3)11-17(16)18/h8-9,11,19-20,24,32H,4-7,10,12-13H2,1-3H3,(H,25,28)
IJQYAXLSRRDAJJ-UHFFFAOYSA-N
461.58