(4-chloranyl-3,5-dimethyl-phenyl) 4-fluoranylbenzenesulfonate

Systemtic Name: (4-chloranyl-3,5-dimethyl-phenyl) 4-fluoranylbenzenesulfonate Openeye Name: (4-chloro-3,5-dimethyl-phenyl) 4-fluorobenzenesulfonate CAS Name: 4-fluorobenzenesulfonic acid (4-chloro-3,5-dimethylphenyl) ester IUPAC Name: (4-chloro-3,5-dimethylphenyl) 4-fluorobenzenesulfonate Traditional Name: 4-fluorobenzenesulfonic acid (4-chloro-3,5-dimethyl-phenyl) ester Formula: C14H12ClFO3S MolecularWeight: 314.759683

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1Cl)C)OS(=O)(=O)C2=CC=C(C=C2)F

Isomeric SMILES

CC1=CC(=CC(=C1Cl)C)OS(=O)(=O)C2=CC=C(C=C2)F

InChI

InChI=1S/C14H12ClFO3S/c1-9-7-12(8-10(2)14(9)15)19-20(17,18)13-5-3-11(16)4-6-13/h3-8H,1-2H3