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
Cc1nc(-c2nc(-c3ccccc3)c(-c3ccccc3)o2)c(-c2cccc(OCC(=O)O)c2)o1
InChI=1S/C27H20N2O5/c1-17-28-24(26(33-17)20-13-8-14-21(15-20)32-16-22(30)31)27-29-23(18-9-4-2-5-10-18)25(34-27)19-11-6-3-7-12-19/h2-15H,16H2,1H3,(H,30,31)
HXMLXHHBNQRRQD-UHFFFAOYSA-N
452.47