(2,3,5-trimethylphenyl) 4-fluoranyl-3-methyl-benzenesulfonate

Systemtic Name: (2,3,5-trimethylphenyl) 4-fluoranyl-3-methyl-benzenesulfonate Openeye Name: (2,3,5-trimethylphenyl) 4-fluoro-3-methyl-benzenesulfonate CAS Name: 4-fluoro-3-methylbenzenesulfonic acid (2,3,5-trimethylphenyl) ester IUPAC Name: (2,3,5-trimethylphenyl) 4-fluoro-3-methylbenzenesulfonate Traditional Name: 4-fluoro-3-methyl-benzenesulfonic acid (2,3,5-trimethylphenyl) ester Formula: C16H17FO3S MolecularWeight: 308.367783

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H17FO3S/c1-10-7-11(2)13(4)16(8-10)20-21(18,19)14-5-6-15(17)12(3)9-14/h5-9H,1-4H3