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
CC(C)n1c(CC[C@@H](O)C[C@@H](O)CC(=O)[O-])c(-c2ccc(F)cc2)c(-c2ccccc2)c1C(=O)NCc1ccc(C(=O)O)cc1.[Na+]
InChI=1S/C35H37FN2O7.Na/c1-21(2)38-29(17-16-27(39)18-28(40)19-30(41)42)31(24-12-14-26(36)15-13-24)32(23-6-4-3-5-7-23)33(38)34(43)37-20-22-8-10-25(11-9-22)35(44)45;/h3-15,21,27-28,39-40H,16-20H2,1-2H3,(H,37,43)(H,41,42)(H,44,45);/q;+1/p-1/t27-,28-;/m1./s1
WYUCNQUELNENGH-LTRMXRMOSA-M
638.67