(2-bromanyl-4-cyano-6-ethoxy-phenyl) 3,4-dimethoxybenzenesulfonate

Systemtic Name: (2-bromanyl-4-cyano-6-ethoxy-phenyl) 3,4-dimethoxybenzenesulfonate Openeye Name: (2-bromo-4-cyano-6-ethoxy-phenyl) 3,4-dimethoxybenzenesulfonate CAS Name: 3,4-dimethoxybenzenesulfonic acid (2-bromo-4-cyano-6-ethoxyphenyl) ester IUPAC Name: (2-bromo-4-cyano-6-ethoxyphenyl) 3,4-dimethoxybenzenesulfonate Traditional Name: 3,4-dimethoxybenzenesulfonic acid (2-bromo-4-cyano-6-ethoxy-phenyl) ester Formula: C17H16BrNO6S MolecularWeight: 442.28104

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H16BrNO6S/c1-4-24-16-8-11(10-19)7-13(18)17(16)25-26(20,21)12-5-6-14(22-2)15(9-12)23-3/h5-9H,4H2,1-3H3