(4-phenylmethoxyphenyl) 5-bromanyl-2-methoxy-benzenesulfonate

Systemtic Name: (4-phenylmethoxyphenyl) 5-bromanyl-2-methoxy-benzenesulfonate Openeye Name: (4-benzyloxyphenyl) 5-bromo-2-methoxy-benzenesulfonate CAS Name: 5-bromo-2-methoxybenzenesulfonic acid (4-phenylmethoxyphenyl) ester IUPAC Name: (4-phenylmethoxyphenyl) 5-bromo-2-methoxybenzenesulfonate Traditional Name: 5-bromo-2-methoxy-benzenesulfonic acid (4-benzoxyphenyl) ester Formula: C20H17BrO5S MolecularWeight: 449.31498

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)Br)S(=O)(=O)OC2=CC=C(C=C2)OCC3=CC=CC=C3

Isomeric SMILES

COC1=C(C=C(C=C1)Br)S(=O)(=O)OC2=CC=C(C=C2)OCC3=CC=CC=C3

InChI

InChI=1S/C20H17BrO5S/c1-24-19-12-7-16(21)13-20(19)27(22,23)26-18-10-8-17(9-11-18)25-14-15-5-3-2-4-6-15/h2-13H,14H2,1H3