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
COC(=O)c1ccc(-c2sc3ccccc3c2C(=O)c2ccc(OCCN3CCCCC3)cc2)cc1
InChI=1S/C30H29NO4S/c1-34-30(33)23-11-9-22(10-12-23)29-27(25-7-3-4-8-26(25)36-29)28(32)21-13-15-24(16-14-21)35-20-19-31-17-5-2-6-18-31/h3-4,7-16H,2,5-6,17-20H2,1H3
GIOLPVIWGJMJPF-UHFFFAOYSA-N
499.63