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)[C@H](NC(=O)c1ccc2ccccc2c1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CN1CC2CCCCC2C[C@H]1C(=O)NC(C)(C)C
InChI=1S/C40H54N4O4/c1-26(2)36(42-37(46)31-20-19-28-15-9-10-16-29(28)22-31)39(48)41-33(21-27-13-7-6-8-14-27)35(45)25-44-24-32-18-12-11-17-30(32)23-34(44)38(47)43-40(3,4)5/h6-10,13-16,19-20,22,26,30,32-36,45H,11-12,17-18,21,23-25H2,1-5H3,(H,41,48)(H,42,46)(H,43,47)/t30?,32?,33-,34-,35+,36-/m0/s1
DCJXJZRHLYXSCU-UDTLMNODSA-N
654.9