(4-nitrophenyl) 2-(4-methylsulfonyl-2-nitro-phenyl)sulfinylethanoate

Systemtic Name: (4-nitrophenyl) 2-(4-methylsulfonyl-2-nitro-phenyl)sulfinylethanoate Openeye Name: (4-nitrophenyl) 2-(4-methylsulfonyl-2-nitro-phenyl)sulfinylacetate CAS Name: 2-(4-methylsulfonyl-2-nitrophenyl)sulfinylacetic acid (4-nitrophenyl) ester IUPAC Name: (4-nitrophenyl) 2-(4-methylsulfonyl-2-nitrophenyl)sulfinylacetate Traditional Name: 2-(4-mesyl-2-nitro-phenyl)sulfinylacetic acid (4-nitrophenyl) ester Formula: C15H12N2O9S2 MolecularWeight: 428.39378

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H12N2O9S2/c1-28(24,25)12-6-7-14(13(8-12)17(21)22)27(23)9-15(18)26-11-4-2-10(3-5-11)16(19)20/h2-8H,9H2,1H3