(2,4-dichlorophenyl)methyl 4-methylsulfonyl-3-nitro-benzoate

Systemtic Name: (2,4-dichlorophenyl)methyl 4-methylsulfonyl-3-nitro-benzoate Openeye Name: (2,4-dichlorophenyl)methyl 4-methylsulfonyl-3-nitro-benzoate CAS Name: 4-methylsulfonyl-3-nitrobenzoic acid (2,4-dichlorophenyl)methyl ester IUPAC Name: (2,4-dichlorophenyl)methyl 4-methylsulfonyl-3-nitrobenzoate Traditional Name: 4-mesyl-3-nitro-benzoic acid (2,4-dichlorobenzyl) ester Formula: C15H11Cl2NO6S MolecularWeight: 404.22194

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=C(C=C(C=C1)C(=O)OCC2=C(C=C(C=C2)Cl)Cl)[N+](=O)[O-]

Isomeric SMILES

CS(=O)(=O)C1=C(C=C(C=C1)C(=O)OCC2=C(C=C(C=C2)Cl)Cl)[N+](=O)[O-]

InChI

InChI=1S/C15H11Cl2NO6S/c1-25(22,23)14-5-3-9(6-13(14)18(20)21)15(19)24-8-10-2-4-11(16)7-12(10)17/h2-7H,8H2,1H3