2-(4-bromanylphenoxy)ethyl 4-methylsulfonyl-3-nitro-benzoate

Systemtic Name: 2-(4-bromanylphenoxy)ethyl 4-methylsulfonyl-3-nitro-benzoate Openeye Name: 2-(4-bromophenoxy)ethyl 4-methylsulfonyl-3-nitro-benzoate CAS Name: 4-methylsulfonyl-3-nitrobenzoic acid 2-(4-bromophenoxy)ethyl ester IUPAC Name: 2-(4-bromophenoxy)ethyl 4-methylsulfonyl-3-nitrobenzoate Traditional Name: 4-mesyl-3-nitro-benzoic acid 2-(4-bromophenoxy)ethyl ester Formula: C16H14BrNO7S MolecularWeight: 444.25386

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=C(C=C(C=C1)C(=O)OCCOC2=CC=C(C=C2)Br)[N+](=O)[O-]

Isomeric SMILES

CS(=O)(=O)C1=C(C=C(C=C1)C(=O)OCCOC2=CC=C(C=C2)Br)[N+](=O)[O-]

InChI

InChI=1S/C16H14BrNO7S/c1-26(22,23)15-7-2-11(10-14(15)18(20)21)16(19)25-9-8-24-13-5-3-12(17)4-6-13/h2-7,10H,8-9H2,1H3