[2,3,4,5,6-pentakis(chloranyl)phenyl] 2-(4-methylsulfonyl-2-nitro-phenyl)sulfinylethanoate

Systemtic Name: [2,3,4,5,6-pentakis(chloranyl)phenyl] 2-(4-methylsulfonyl-2-nitro-phenyl)sulfinylethanoate Openeye Name: (2,3,4,5,6-pentachlorophenyl) 2-(4-methylsulfonyl-2-nitro-phenyl)sulfinylacetate CAS Name: 2-(4-methylsulfonyl-2-nitrophenyl)sulfinylacetic acid (2,3,4,5,6-pentachlorophenyl) ester IUPAC Name: (2,3,4,5,6-pentachlorophenyl) 2-(4-methylsulfonyl-2-nitrophenyl)sulfinylacetate Traditional Name: 2-(4-mesyl-2-nitro-phenyl)sulfinylacetic acid (2,3,4,5,6-pentachlorophenyl) ester Formula: C15H8Cl5NO7S2 MolecularWeight: 555.62152

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC(=C(C=C1)S(=O)CC(=O)OC2=C(C(=C(C(=C2Cl)Cl)Cl)Cl)Cl)[N+](=O)[O-]

Isomeric SMILES

CS(=O)(=O)C1=CC(=C(C=C1)S(=O)CC(=O)OC2=C(C(=C(C(=C2Cl)Cl)Cl)Cl)Cl)[N+](=O)[O-]

InChI

InChI=1S/C15H8Cl5NO7S2/c1-30(26,27)6-2-3-8(7(4-6)21(23)24)29(25)5-9(22)28-15-13(19)11(17)10(16)12(18)14(15)20/h2-4H,5H2,1H3