dimethyl 5-(2-bromanyl-4-cyano-6-ethoxy-phenoxy)sulfonylbenzene-1,3-dicarboxylate

Systemtic Name: dimethyl 5-(2-bromanyl-4-cyano-6-ethoxy-phenoxy)sulfonylbenzene-1,3-dicarboxylate Openeye Name: dimethyl 5-(2-bromo-4-cyano-6-ethoxy-phenoxy)sulfonylbenzene-1,3-dicarboxylate CAS Name: 5-(2-bromo-4-cyano-6-ethoxyphenoxy)sulfonylbenzene-1,3-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 5-(2-bromo-4-cyano-6-ethoxyphenoxy)sulfonylbenzene-1,3-dicarboxylate Traditional Name: 5-(2-bromo-4-cyano-6-ethoxy-phenoxy)sulfonylbenzene-1,3-dicarboxylic acid dimethyl ester Formula: C19H16BrNO8S MolecularWeight: 498.30124

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C(=CC(=C1)C#N)Br)OS(=O)(=O)C2=CC(=CC(=C2)C(=O)OC)C(=O)OC

Isomeric SMILES

CCOC1=C(C(=CC(=C1)C#N)Br)OS(=O)(=O)C2=CC(=CC(=C2)C(=O)OC)C(=O)OC

InChI

InChI=1S/C19H16BrNO8S/c1-4-28-16-6-11(10-21)5-15(20)17(16)29-30(24,25)14-8-12(18(22)26-2)7-13(9-14)19(23)27-3/h5-9H,4H2,1-3H3