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
C[N+]12CCC(CC1)[C@@H](OC(=O)[C@](O)(c1ccccc1)C1CCCCC1)C2.[I-]
InChI=1S/C22H32NO3.HI/c1-23-14-12-17(13-15-23)20(16-23)26-21(24)22(25,18-8-4-2-5-9-18)19-10-6-3-7-11-19;/h2,4-5,8-9,17,19-20,25H,3,6-7,10-16H2,1H3;1H/q+1;/p-1/t17?,20-,22-,23?;/m0./s1
PJUALTWRJIYAHC-LPOVJKNVSA-M
485.41