(1-fluoranyl-2-methyl-heptyl) 2-methylbenzenesulfonate

Systemtic Name: (1-fluoranyl-2-methyl-heptyl) 2-methylbenzenesulfonate Openeye Name: (1-fluoro-2-methyl-heptyl) 2-methylbenzenesulfonate CAS Name: 2-methylbenzenesulfonic acid (1-fluoro-2-methylheptyl) ester IUPAC Name: (1-fluoro-2-methylheptyl) 2-methylbenzenesulfonate Traditional Name: 2-methylbenzenesulfonic acid (1-fluoro-2-methyl-heptyl) ester Formula: C15H23FO3S MolecularWeight: 302.404723

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(C)C(OS(=O)(=O)C1=CC=CC=C1C)F

Isomeric SMILES

CCCCCC(C)C(OS(=O)(=O)C1=CC=CC=C1C)F

InChI

InChI=1S/C15H23FO3S/c1-4-5-6-10-13(3)15(16)19-20(17,18)14-11-8-7-9-12(14)2/h7-9,11,13,15H,4-6,10H2,1-3H3