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)(CN1CN(C(Cc2ccccc2)C(=O)O)CSC1=S)CN1CN(C(Cc2ccccc2)C(=O)O)CSC1=S
InChI=1S/C29H36N4O4S4/c1-29(2,15-30-17-32(19-40-27(30)38)23(25(34)35)13-21-9-5-3-6-10-21)16-31-18-33(20-41-28(31)39)24(26(36)37)14-22-11-7-4-8-12-22/h3-12,23-24H,13-20H2,1-2H3,(H,34,35)(H,36,37)
VQBGUDTXOXABGO-UHFFFAOYSA-N
632.9