Type | Program | Version | Descriptor |
SMILES | ACDLabs | 10.04 | FC(F)(F)C(OCC[As+](C)(C)C)c1ccccc1[N+](=O)O |
SMILES_CANONICAL | CACTVS | 3.341 | C[As+](C)(C)CCO[C@@H](c1ccccc1[N+](O)=O)C(F)(F)F |
SMILES | CACTVS | 3.341 | C[As+](C)(C)CCO[CH](c1ccccc1[N+](O)=O)C(F)(F)F |
SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | C[As+](C)(C)CCO[C@@H](c1ccccc1[N+](=O)O)C(F)(F)F |
SMILES | OpenEye OEToolkits | 1.5.0 | C[As+](C)(C)CCOC(c1ccccc1[N+](=O)O)C(F)(F)F |
InChI | InChI | 1.03 | InChI=1S/C13H19AsF3NO3/c1-14(2,3)8-9-21-12(13(15,16)17)10-6-4-5-7-11(10)18(19)20/h4-7,12H,8-9H2,1-3H3,(H,19,20)/q+2/t12-/m0/s1 |
InChIKey | InChI | 1.03 | LUSVMAVUPPIHKA-LBPRGKRZSA-N |