(2-bromanyl-4-methyl-phenyl) 3-cyanobenzenesulfonate

Systemtic Name: (2-bromanyl-4-methyl-phenyl) 3-cyanobenzenesulfonate Openeye Name: (2-bromo-4-methyl-phenyl) 3-cyanobenzenesulfonate CAS Name: 3-cyanobenzenesulfonic acid (2-bromo-4-methylphenyl) ester IUPAC Name: (2-bromo-4-methylphenyl) 3-cyanobenzenesulfonate Traditional Name: 3-cyanobenzenesulfonic acid (2-bromo-4-methyl-phenyl) ester Formula: C14H10BrNO3S MolecularWeight: 352.2031

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H10BrNO3S/c1-10-5-6-14(13(15)7-10)19-20(17,18)12-4-2-3-11(8-12)9-16/h2-8H,1H3