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
COC(=N)NS(=O)(=O)c1ccc(NC(=O)[C@H](Cc2c[nH]cn2)NC(=O)CNC(=O)NS(=O)(=O)c2ccc(C)cc2)cc1
InChI=1S/C24H28N8O8S2/c1-15-3-7-18(8-4-15)42(38,39)32-24(35)27-13-21(33)30-20(11-17-12-26-14-28-17)22(34)29-16-5-9-19(10-6-16)41(36,37)31-23(25)40-2/h3-10,12,14,20H,11,13H2,1-2H3,(H2,25,31)(H,26,28)(H,29,34)(H,30,33)(H2,27,32,35)/t20-/m0/s1
KQDLCLBSLPNBJJ-FQEVSTJZSA-N
620.67