methyl 2-(2-bromanyl-4,6-dinitro-phenyl)sulfanylethanoate

Systemtic Name: methyl 2-(2-bromanyl-4,6-dinitro-phenyl)sulfanylethanoate Openeye Name: methyl 2-(2-bromo-4,6-dinitro-phenyl)sulfanylacetate CAS Name: 2-[(2-bromo-4,6-dinitrophenyl)thio]acetic acid methyl ester IUPAC Name: methyl 2-(2-bromo-4,6-dinitrophenyl)sulfanylacetate Traditional Name: 2-[(2-bromo-4,6-dinitro-phenyl)thio]acetic acid methyl ester Formula: C9H7BrN2O6S MolecularWeight: 351.13068

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CSC1=C(C=C(C=C1Br)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

COC(=O)CSC1=C(C=C(C=C1Br)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C9H7BrN2O6S/c1-18-8(13)4-19-9-6(10)2-5(11(14)15)3-7(9)12(16)17/h2-3H,4H2,1H3