3-(4-bromanyl-2-nitro-phenyl)sulfanylpropanoate

Systemtic Name: 3-(4-bromanyl-2-nitro-phenyl)sulfanylpropanoate Openeye Name: 3-(4-bromo-2-nitro-phenyl)sulfanylpropanoate CAS Name: 3-[(4-bromo-2-nitrophenyl)thio]propanoate IUPAC Name: 3-(4-bromo-2-nitrophenyl)sulfanylpropanoate Traditional Name: 3-[(4-bromo-2-nitro-phenyl)thio]propionate Formula: C9H7BrNO4S- MolecularWeight: 305.12518

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1Br)[N+](=O)[O-])SCCC(=O)[O-]

Isomeric SMILES

C1=CC(=C(C=C1Br)[N+](=O)[O-])SCCC(=O)[O-]

InChI

InChI=1S/C9H8BrNO4S/c10-6-1-2-8(7(5-6)11(14)15)16-4-3-9(12)13/h1-2,5H,3-4H2,(H,12,13)/p-1