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
O=CO[C@H](CCCCNC(=O)c1ccc(-c2ccc(OCCF)cc2)cc1)OC(=O)N[C@@H](CCC(=O)O)C(=O)O
InChI=1S/C27H31FN2O10/c28-14-16-38-21-10-8-19(9-11-21)18-4-6-20(7-5-18)25(34)29-15-2-1-3-24(39-17-31)40-27(37)30-22(26(35)36)12-13-23(32)33/h4-11,17,22,24H,1-3,12-16H2,(H,29,34)(H,30,37)(H,32,33)(H,35,36)/t22-,24-/m0/s1
XXGBUHGFIAJPRD-UPVQGACJSA-N
562.55