(2S)-2-(4-bromanyl-2-nitro-phenyl)sulfanylpropanoic acid

Systemtic Name: (2S)-2-(4-bromanyl-2-nitro-phenyl)sulfanylpropanoic acid Openeye Name: (2S)-2-(4-bromo-2-nitro-phenyl)sulfanylpropanoic acid CAS Name: (2S)-2-[(4-bromo-2-nitrophenyl)thio]propanoic acid IUPAC Name: (2S)-2-(4-bromo-2-nitrophenyl)sulfanylpropanoic acid Traditional Name: (2S)-2-[(4-bromo-2-nitro-phenyl)thio]propionic acid Formula: C9H8BrNO4S MolecularWeight: 306.13312

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C9H8BrNO4S/c1-5(9(12)13)16-8-3-2-6(10)4-7(8)11(14)15/h2-5H,1H3,(H,12,13)/t5-/m0/s1