(3,5-dimethylphenyl) 4-bromanylbenzenesulfonate

Systemtic Name: (3,5-dimethylphenyl) 4-bromanylbenzenesulfonate Openeye Name: (3,5-dimethylphenyl) 4-bromobenzenesulfonate CAS Name: 4-bromobenzenesulfonic acid (3,5-dimethylphenyl) ester IUPAC Name: (3,5-dimethylphenyl) 4-bromobenzenesulfonate Traditional Name: 4-bromobenzenesulfonic acid (3,5-dimethylphenyl) ester Formula: C14H13BrO3S MolecularWeight: 341.22022

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H13BrO3S/c1-10-7-11(2)9-13(8-10)18-19(16,17)14-5-3-12(15)4-6-14/h3-9H,1-2H3