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
Cc1cc(O[C@H]2CC[C@H](C(C)(C)C)CC2)c(CNC2CC(C(=O)O)C2)c2ccccc12
InChI=1S/C27H37NO3/c1-17-13-25(31-21-11-9-19(10-12-21)27(2,3)4)24(23-8-6-5-7-22(17)23)16-28-20-14-18(15-20)26(29)30/h5-8,13,18-21,28H,9-12,14-16H2,1-4H3,(H,29,30)/t18?,19-,20?,21-
VTJKMNQZPZGKGE-ZHRYYDEUSA-N
423.6