(3,5-dimethylphenyl) 5-bromanyl-2-ethoxy-benzenesulfonate

Systemtic Name: (3,5-dimethylphenyl) 5-bromanyl-2-ethoxy-benzenesulfonate Openeye Name: (3,5-dimethylphenyl) 5-bromo-2-ethoxy-benzenesulfonate CAS Name: 5-bromo-2-ethoxybenzenesulfonic acid (3,5-dimethylphenyl) ester IUPAC Name: (3,5-dimethylphenyl) 5-bromo-2-ethoxybenzenesulfonate Traditional Name: 5-bromo-2-ethoxy-benzenesulfonic acid (3,5-dimethylphenyl) ester Formula: C16H17BrO4S MolecularWeight: 385.27278

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)Br)S(=O)(=O)OC2=CC(=CC(=C2)C)C

Isomeric SMILES

CCOC1=C(C=C(C=C1)Br)S(=O)(=O)OC2=CC(=CC(=C2)C)C

InChI

InChI=1S/C16H17BrO4S/c1-4-20-15-6-5-13(17)10-16(15)22(18,19)21-14-8-11(2)7-12(3)9-14/h5-10H,4H2,1-3H3