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)c1c2c(c(C)n1Cc1ccccc1)-c1oc(=O)c(C(=O)OC)cc1CC2
InChI=1S/C24H23NO6/c1-4-30-24(28)20-17-11-10-16-12-18(22(26)29-3)23(27)31-21(16)19(17)14(2)25(20)13-15-8-6-5-7-9-15/h5-9,12H,4,10-11,13H2,1-3H3
MNICVSZLNXWULZ-UHFFFAOYSA-N
421.45