3-(5-azanyl-2,4-dinitro-phenyl)sulfanylpropanoic acid

Systemtic Name: 3-(5-azanyl-2,4-dinitro-phenyl)sulfanylpropanoic acid Openeye Name: 3-(5-amino-2,4-dinitro-phenyl)sulfanylpropanoic acid CAS Name: 3-[(5-amino-2,4-dinitrophenyl)thio]propanoic acid IUPAC Name: 3-(5-amino-2,4-dinitrophenyl)sulfanylpropanoic acid Traditional Name: 3-[(5-amino-2,4-dinitro-phenyl)thio]propionic acid Formula: C9H9N3O6S MolecularWeight: 287.24926

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=C(C(=CC(=C1SCCC(=O)O)[N+](=O)[O-])[N+](=O)[O-])N

Isomeric SMILES

C1=C(C(=CC(=C1SCCC(=O)O)[N+](=O)[O-])[N+](=O)[O-])N

InChI

InChI=1S/C9H9N3O6S/c10-5-3-8(19-2-1-9(13)14)7(12(17)18)4-6(5)11(15)16/h3-4H,1-2,10H2,(H,13,14)