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
Cc1ccc(-c2ncc(C)n2Cc2ccccc2OCCCC(C)CC(=O)O)cc1
InChI=1S/C25H30N2O3/c1-18-10-12-21(13-11-18)25-26-16-20(3)27(25)17-22-8-4-5-9-23(22)30-14-6-7-19(2)15-24(28)29/h4-5,8-13,16,19H,6-7,14-15,17H2,1-3H3,(H,28,29)
IGEYBBZLLOTKIF-UHFFFAOYSA-N
406.53