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)Nc1ccc(C2CC3CCC(C2C(=O)OC)N3C)cc1
InChI=1S/C19H26N2O4/c1-4-25-19(23)20-13-7-5-12(6-8-13)15-11-14-9-10-16(21(14)2)17(15)18(22)24-3/h5-8,14-17H,4,9-11H2,1-3H3,(H,20,23)
YIKMNZPABUNBSL-UHFFFAOYSA-N
346.43