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
CCCc1c(OCCCCOc2cccc(OC(C)(C)C(=O)O)c2)ccc2c(-c3ccccc3)noc12
InChI=1S/C30H33NO6/c1-4-11-24-26(17-16-25-27(31-37-28(24)25)21-12-6-5-7-13-21)35-19-9-8-18-34-22-14-10-15-23(20-22)36-30(2,3)29(32)33/h5-7,10,12-17,20H,4,8-9,11,18-19H2,1-3H3,(H,32,33)
CNAGWDCLNROSMI-UHFFFAOYSA-N
503.6