3-(5-azanyl-2,4-dinitro-phenyl)sulfanylpropanoate

Systemtic Name: 3-(5-azanyl-2,4-dinitro-phenyl)sulfanylpropanoate Openeye Name: 3-(5-amino-2,4-dinitro-phenyl)sulfanylpropanoate CAS Name: 3-[(5-amino-2,4-dinitrophenyl)thio]propanoate IUPAC Name: 3-(5-amino-2,4-dinitrophenyl)sulfanylpropanoate Traditional Name: 3-[(5-amino-2,4-dinitro-phenyl)thio]propionate Formula: C9H8N3O6S- MolecularWeight: 286.24132

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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)/p-1