2-(4-ethanoyl-2-nitro-phenyl)sulfanylethanoic acid

Systemtic Name: 2-(4-ethanoyl-2-nitro-phenyl)sulfanylethanoic acid Openeye Name: 2-(4-acetyl-2-nitro-phenyl)sulfanylacetic acid CAS Name: 2-[(4-acetyl-2-nitrophenyl)thio]acetic acid IUPAC Name: 2-(4-acetyl-2-nitrophenyl)sulfanylacetic acid Traditional Name: 2-[(4-acetyl-2-nitro-phenyl)thio]acetic acid Formula: C10H9NO5S MolecularWeight: 255.24716

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C10H9NO5S/c1-6(12)7-2-3-9(17-5-10(13)14)8(4-7)11(15)16/h2-4H,5H2,1H3,(H,13,14)