2-(2,4-dinitrophenyl)sulfanylethanoate

Systemtic Name: 2-(2,4-dinitrophenyl)sulfanylethanoate Openeye Name: 2-(2,4-dinitrophenyl)sulfanylacetate CAS Name: 2-[(2,4-dinitrophenyl)thio]acetate IUPAC Name: 2-(2,4-dinitrophenyl)sulfanylacetate Traditional Name: 2-[(2,4-dinitrophenyl)thio]acetate Formula: C8H5N2O6S- MolecularWeight: 257.2001

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)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C8H6N2O6S/c11-8(12)4-17-7-2-1-5(9(13)14)3-6(7)10(15)16/h1-3H,4H2,(H,11,12)/p-1