2,2,3,3,4,4,5,5-octakis(fluoranyl)pentyl 2-(2,4-dinitrophenyl)sulfanylethanoate

Systemtic Name: 2,2,3,3,4,4,5,5-octakis(fluoranyl)pentyl 2-(2,4-dinitrophenyl)sulfanylethanoate Openeye Name: 2,2,3,3,4,4,5,5-octafluoropentyl 2-(2,4-dinitrophenyl)sulfanylacetate CAS Name: 2-[(2,4-dinitrophenyl)thio]acetic acid 2,2,3,3,4,4,5,5-octafluoropentyl ester IUPAC Name: 2,2,3,3,4,4,5,5-octafluoropentyl 2-(2,4-dinitrophenyl)sulfanylacetate Traditional Name: 2-[(2,4-dinitrophenyl)thio]acetic acid 2,2,3,3,4,4,5,5-octafluoropentyl ester Formula: C13H8F8N2O6S MolecularWeight: 472.264646

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1[N+](=O)[O-])[N+](=O)[O-])SCC(=O)OCC(C(C(C(F)F)(F)F)(F)F)(F)F

Isomeric SMILES

C1=CC(=C(C=C1[N+](=O)[O-])[N+](=O)[O-])SCC(=O)OCC(C(C(C(F)F)(F)F)(F)F)(F)F

InChI

InChI=1S/C13H8F8N2O6S/c14-10(15)12(18,19)13(20,21)11(16,17)5-29-9(24)4-30-8-2-1-6(22(25)26)3-7(8)23(27)28/h1-3,10H,4-5H2