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
COc1cc2c(Sc3ccc4c(c3)OCO4)c(C(=O)O)n(Cc3ccc4c(c3)OCO4)c2cc1OC
InChI=1S/C26H21NO8S/c1-30-20-9-16-17(10-21(20)31-2)27(11-14-3-5-18-22(7-14)34-12-32-18)24(26(28)29)25(16)36-15-4-6-19-23(8-15)35-13-33-19/h3-10H,11-13H2,1-2H3,(H,28,29)
NQDCDWVUSPOECA-UHFFFAOYSA-N
507.52