methyl 4-[2-(4-bromophenyl)sulfonylethoxy]-3-nitro-benzoate

Systemtic Name: methyl 4-[2-(4-bromophenyl)sulfonylethoxy]-3-nitro-benzoate Openeye Name: methyl 4-[2-(4-bromophenyl)sulfonylethoxy]-3-nitro-benzoate CAS Name: 4-[2-(4-bromophenyl)sulfonylethoxy]-3-nitrobenzoic acid methyl ester IUPAC Name: methyl 4-[2-(4-bromophenyl)sulfonylethoxy]-3-nitrobenzoate Traditional Name: 4-(2-brosylethoxy)-3-nitro-benzoic acid methyl ester Formula: C16H14BrNO7S MolecularWeight: 444.25386

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=C(C=C1)OCCS(=O)(=O)C2=CC=C(C=C2)Br)[N+](=O)[O-]

Isomeric SMILES

COC(=O)C1=CC(=C(C=C1)OCCS(=O)(=O)C2=CC=C(C=C2)Br)[N+](=O)[O-]

InChI

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