(2,3,5-trimethylphenyl) 4-bromanyl-3-methoxy-benzenesulfonate

Systemtic Name: (2,3,5-trimethylphenyl) 4-bromanyl-3-methoxy-benzenesulfonate Openeye Name: (2,3,5-trimethylphenyl) 4-bromo-3-methoxy-benzenesulfonate CAS Name: 4-bromo-3-methoxybenzenesulfonic acid (2,3,5-trimethylphenyl) ester IUPAC Name: (2,3,5-trimethylphenyl) 4-bromo-3-methoxybenzenesulfonate Traditional Name: 4-bromo-3-methoxy-benzenesulfonic acid (2,3,5-trimethylphenyl) ester Formula: C16H17BrO4S MolecularWeight: 385.27278

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)OS(=O)(=O)C2=CC(=C(C=C2)Br)OC)C)C

Isomeric SMILES

CC1=CC(=C(C(=C1)OS(=O)(=O)C2=CC(=C(C=C2)Br)OC)C)C

InChI

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