(2-bromanyl-4-cyano-6-ethoxy-phenyl) 2,3-dihydro-1,4-benzodioxine-6-sulfonate

Systemtic Name: (2-bromanyl-4-cyano-6-ethoxy-phenyl) 2,3-dihydro-1,4-benzodioxine-6-sulfonate Openeye Name: (2-bromo-4-cyano-6-ethoxy-phenyl) 2,3-dihydro-1,4-benzodioxine-6-sulfonate CAS Name: 2,3-dihydro-1,4-benzodioxin-6-sulfonic acid (2-bromo-4-cyano-6-ethoxyphenyl) ester IUPAC Name: (2-bromo-4-cyano-6-ethoxyphenyl) 2,3-dihydro-1,4-benzodioxine-6-sulfonate Traditional Name: 2,3-dihydro-1,4-benzodioxin-6-sulfonic acid (2-bromo-4-cyano-6-ethoxy-phenyl) ester Formula: C17H14BrNO6S MolecularWeight: 440.26516

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C(=CC(=C1)C#N)Br)OS(=O)(=O)C2=CC3=C(C=C2)OCCO3

Isomeric SMILES

CCOC1=C(C(=CC(=C1)C#N)Br)OS(=O)(=O)C2=CC3=C(C=C2)OCCO3

InChI

InChI=1S/C17H14BrNO6S/c1-2-22-16-8-11(10-19)7-13(18)17(16)25-26(20,21)12-3-4-14-15(9-12)24-6-5-23-14/h3-4,7-9H,2,5-6H2,1H3