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
O=C(c1ccc(OCCN2CCCCC2)cc1)c1c(-c2ccc(O)cc2)sc2cc(O)c(O)cc12
InChI=1S/C28H27NO5S/c30-20-8-4-19(5-9-20)28-26(22-16-23(31)24(32)17-25(22)35-28)27(33)18-6-10-21(11-7-18)34-15-14-29-12-2-1-3-13-29/h4-11,16-17,30-32H,1-3,12-15H2
DWILWBMTOOTEKV-UHFFFAOYSA-N
489.59