(4-methanoylphenyl) 2-(4-methylsulfonyl-2-nitro-phenyl)sulfanylethanoate

Systemtic Name: (4-methanoylphenyl) 2-(4-methylsulfonyl-2-nitro-phenyl)sulfanylethanoate Openeye Name: (4-formylphenyl) 2-(4-methylsulfonyl-2-nitro-phenyl)sulfanylacetate CAS Name: 2-[(4-methylsulfonyl-2-nitrophenyl)thio]acetic acid (4-formylphenyl) ester IUPAC Name: (4-formylphenyl) 2-(4-methylsulfonyl-2-nitrophenyl)sulfanylacetate Traditional Name: 2-[(4-mesyl-2-nitro-phenyl)thio]acetic acid (4-formylphenyl) ester Formula: C16H13NO7S2 MolecularWeight: 395.40692

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC(=C(C=C1)SCC(=O)OC2=CC=C(C=C2)C=O)[N+](=O)[O-]

Isomeric SMILES

CS(=O)(=O)C1=CC(=C(C=C1)SCC(=O)OC2=CC=C(C=C2)C=O)[N+](=O)[O-]

InChI

InChI=1S/C16H13NO7S2/c1-26(22,23)13-6-7-15(14(8-13)17(20)21)25-10-16(19)24-12-4-2-11(9-18)3-5-12/h2-9H,10H2,1H3