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
CCCCCc1nc(SCc2ccc(-c3ccccc3C(=O)OC)cc2)nn1Cc1ccc(-c2ccccc2C(=O)OC)cc1
InChI=1S/C37H37N3O4S/c1-4-5-6-15-34-38-37(45-25-27-18-22-29(23-19-27)31-12-8-10-14-33(31)36(42)44-3)39-40(34)24-26-16-20-28(21-17-26)30-11-7-9-13-32(30)35(41)43-2/h7-14,16-23H,4-6,15,24-25H2,1-3H3
DIONCQCPVWKTCT-UHFFFAOYSA-N
619.79