2-(5-chloranyl-2-nitro-phenyl)sulfanylpropanoic acid

Systemtic Name: 2-(5-chloranyl-2-nitro-phenyl)sulfanylpropanoic acid Openeye Name: 2-(5-chloro-2-nitro-phenyl)sulfanylpropanoic acid CAS Name: 2-[(5-chloro-2-nitrophenyl)thio]propanoic acid IUPAC Name: 2-(5-chloro-2-nitrophenyl)sulfanylpropanoic acid Traditional Name: 2-[(5-chloro-2-nitro-phenyl)thio]propionic acid Formula: C9H8ClNO4S MolecularWeight: 261.68212

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C9H8ClNO4S/c1-5(9(12)13)16-8-4-6(10)2-3-7(8)11(14)15/h2-5H,1H3,(H,12,13)