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
Cc1ccc(NC(=O)C2CSc3c(C4CC4)c(Cc4cccc5ccccc45)c(N)c(=O)n32)cc1
InChI=1S/C29H27N3O2S/c1-17-9-13-21(14-10-17)31-27(33)24-16-35-29-25(19-11-12-19)23(26(30)28(34)32(24)29)15-20-7-4-6-18-5-2-3-8-22(18)20/h2-10,13-14,19,24H,11-12,15-16,30H2,1H3,(H,31,33)
OETOVNPOGFEQQF-UHFFFAOYSA-N
481.62