3-(2,4-dinitrophenyl)sulfanylpropanoate

Systemtic Name: 3-(2,4-dinitrophenyl)sulfanylpropanoate Openeye Name: 3-(2,4-dinitrophenyl)sulfanylpropanoate CAS Name: 3-[(2,4-dinitrophenyl)thio]propanoate IUPAC Name: 3-(2,4-dinitrophenyl)sulfanylpropanoate Traditional Name: 3-[(2,4-dinitrophenyl)thio]propionate Formula: C9H7N2O6S- MolecularWeight: 271.22668

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C9H8N2O6S/c12-9(13)3-4-18-8-2-1-6(10(14)15)5-7(8)11(16)17/h1-2,5H,3-4H2,(H,12,13)/p-1