(2-oxidanylideneoxolan-3-yl) 2-[2-nitro-4-(trifluoromethyl)phenyl]sulfanylbenzoate

Systemtic Name: (2-oxidanylideneoxolan-3-yl) 2-[2-nitro-4-(trifluoromethyl)phenyl]sulfanylbenzoate Openeye Name: (2-oxotetrahydrofuran-3-yl) 2-[2-nitro-4-(trifluoromethyl)phenyl]sulfanylbenzoate CAS Name: 2-[[2-nitro-4-(trifluoromethyl)phenyl]thio]benzoic acid (2-oxo-3-oxolanyl) ester IUPAC Name: (2-oxooxolan-3-yl) 2-[2-nitro-4-(trifluoromethyl)phenyl]sulfanylbenzoate Traditional Name: 2-[[2-nitro-4-(trifluoromethyl)phenyl]thio]benzoic acid (2-ketotetrahydrofuran-3-yl) ester Formula: C18H12F3NO6S MolecularWeight: 427.35119

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1COC(=O)C1OC(=O)C2=CC=CC=C2SC3=C(C=C(C=C3)C(F)(F)F)[N+](=O)[O-]

Isomeric SMILES

C1COC(=O)C1OC(=O)C2=CC=CC=C2SC3=C(C=C(C=C3)C(F)(F)F)[N+](=O)[O-]

InChI

InChI=1S/C18H12F3NO6S/c19-18(20,21)10-5-6-15(12(9-10)22(25)26)29-14-4-2-1-3-11(14)16(23)28-13-7-8-27-17(13)24/h1-6,9,13H,7-8H2