2-(2-cyano-4-nitro-phenyl)sulfanylethanoate

Systemtic Name: 2-(2-cyano-4-nitro-phenyl)sulfanylethanoate Openeye Name: 2-(2-cyano-4-nitro-phenyl)sulfanylacetate CAS Name: 2-[(2-cyano-4-nitrophenyl)thio]acetate IUPAC Name: 2-(2-cyano-4-nitrophenyl)sulfanylacetate Traditional Name: 2-[(2-cyano-4-nitro-phenyl)thio]acetate Formula: C9H5N2O4S- MolecularWeight: 237.212

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C9H6N2O4S/c10-4-6-3-7(11(14)15)1-2-8(6)16-5-9(12)13/h1-3H,5H2,(H,12,13)/p-1