(3-ethanoylphenyl) 2,4-dinitrobenzenesulfonate

Systemtic Name: (3-ethanoylphenyl) 2,4-dinitrobenzenesulfonate Openeye Name: (3-acetylphenyl) 2,4-dinitrobenzenesulfonate CAS Name: 2,4-dinitrobenzenesulfonic acid (3-acetylphenyl) ester IUPAC Name: (3-acetylphenyl) 2,4-dinitrobenzenesulfonate Traditional Name: 2,4-dinitrobenzenesulfonic acid (3-acetylphenyl) ester Formula: C14H10N2O8S MolecularWeight: 366.3028

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC(=CC=C1)OS(=O)(=O)C2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CC(=O)C1=CC(=CC=C1)OS(=O)(=O)C2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C14H10N2O8S/c1-9(17)10-3-2-4-12(7-10)24-25(22,23)14-6-5-11(15(18)19)8-13(14)16(20)21/h2-8H,1H3