(2-bromanyl-4-cyano-6-ethoxy-phenyl) 4-(2-methoxyethoxy)benzenesulfonate

Systemtic Name: (2-bromanyl-4-cyano-6-ethoxy-phenyl) 4-(2-methoxyethoxy)benzenesulfonate Openeye Name: (2-bromo-4-cyano-6-ethoxy-phenyl) 4-(2-methoxyethoxy)benzenesulfonate CAS Name: 4-(2-methoxyethoxy)benzenesulfonic acid (2-bromo-4-cyano-6-ethoxyphenyl) ester IUPAC Name: (2-bromo-4-cyano-6-ethoxyphenyl) 4-(2-methoxyethoxy)benzenesulfonate Traditional Name: 4-(2-methoxyethoxy)benzenesulfonic acid (2-bromo-4-cyano-6-ethoxy-phenyl) ester Formula: C18H18BrNO6S MolecularWeight: 456.30762

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H18BrNO6S/c1-3-24-17-11-13(12-20)10-16(19)18(17)26-27(21,22)15-6-4-14(5-7-15)25-9-8-23-2/h4-7,10-11H,3,8-9H2,1-2H3