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=c1[nH]sc2c1c(=O)c1cc(F)c(-c3ccccc3)cc1n2C1CC1
InChI=1S/C19H13FN2O2S/c20-14-8-13-15(9-12(14)10-4-2-1-3-5-10)22(11-6-7-11)19-16(17(13)23)18(24)21-25-19/h1-5,8-9,11H,6-7H2,(H,21,24)
IGLVERVMCZAZHD-UHFFFAOYSA-N
352.39