(E)-[2-carboxyoxy-4-(trifluoromethyl)thiolan-3-ylidene]-oxidanyl-propyl-azanium

Systemtic Name: (E)-[2-carboxyoxy-4-(trifluoromethyl)thiolan-3-ylidene]-oxidanyl-propyl-azanium Openeye Name: (E)-[2-carboxyoxy-4-(trifluoromethyl)tetrahydrothiophen-3-ylidene]-hydroxy-propyl-ammonium CAS Name: (E)-[2-carboxyoxy-4-(trifluoromethyl)-3-thiolanylidene]-hydroxy-propylammonium IUPAC Name: (E)-[2-carboxyoxy-4-(trifluoromethyl)thiolan-3-ylidene]-hydroxy-propylazanium Traditional Name: (E)-[2-carboxyoxy-4-(trifluoromethyl)tetrahydrothiophen-3-ylidene]-hydroxy-propyl-ammonium Formula: C9H13F3NO4S+ MolecularWeight: 288.26403

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC[N+](=C1C(CSC1OC(=O)O)C(F)(F)F)O

Isomeric SMILES

CCC/[N+](=C\1/C(CSC1OC(=O)O)C(F)(F)F)/O

InChI

InChI=1S/C9H12F3NO4S/c1-2-3-13(16)6-5(9(10,11)12)4-18-7(6)17-8(14)15/h5,7H,2-4H2,1H3,(H-,14,15,16)/p+1/b13-6+