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)c1c(NC(=O)N[C@@H](C(=O)N[C@@H]2C(=O)N3C(C(=O)O)=C(C)CS[C@H]23)c2ccccc2)sc2c1CCCCCC2
InChI=1S/C29H32N4O7S2/c1-15-14-41-26-21(25(35)33(26)22(15)27(36)37)30-23(34)20(16-10-6-5-7-11-16)31-29(39)32-24-19(28(38)40-2)17-12-8-3-4-9-13-18(17)42-24/h5-7,10-11,20-21,26H,3-4,8-9,12-14H2,1-2H3,(H,30,34)(H,36,37)(H2,31,32,39)/t20-,21-,26-/m1/s1
MEXNWBFHXYBNEX-IPVFLDMMSA-N
612.73