2-(2-ethanoyl-4,6-dinitro-phenyl)sulfanylethanoic acid

Systemtic Name: 2-(2-ethanoyl-4,6-dinitro-phenyl)sulfanylethanoic acid Openeye Name: 2-(2-acetyl-4,6-dinitro-phenyl)sulfanylacetic acid CAS Name: 2-[(2-acetyl-4,6-dinitrophenyl)thio]acetic acid IUPAC Name: 2-(2-acetyl-4,6-dinitrophenyl)sulfanylacetic acid Traditional Name: 2-[(2-acetyl-4,6-dinitro-phenyl)thio]acetic acid Formula: C10H8N2O7S MolecularWeight: 300.24472

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC(=CC(=C1SCC(=O)O)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CC(=O)C1=CC(=CC(=C1SCC(=O)O)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C10H8N2O7S/c1-5(13)7-2-6(11(16)17)3-8(12(18)19)10(7)20-4-9(14)15/h2-3H,4H2,1H3,(H,14,15)