(2S)-2-(2,4-dinitrophenyl)sulfanylpropanoate

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)[O-])SC1=C(C=C(C=C1)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

C[C@@H](C(=O)[O-])SC1=C(C=C(C=C1)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C9H8N2O6S/c1-5(9(12)13)18-8-3-2-6(10(14)15)4-7(8)11(16)17/h2-5H,1H3,(H,12,13)/p-1/t5-/m0/s1