(5-fluoranyl-2-adamantyl) 4-methylbenzenesulfonate

Systemtic Name: (5-fluoranyl-2-adamantyl) 4-methylbenzenesulfonate Openeye Name: (5-fluoro-2-adamantyl) 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid (5-fluoro-2-adamantyl) ester IUPAC Name: (5-fluoro-2-adamantyl) 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid (5-fluoro-2-adamantyl) ester Formula: C17H21FO3S MolecularWeight: 324.410243

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OC2C3CC4CC2CC(C4)(C3)F

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OC2C3CC4CC2CC(C4)(C3)F

InChI

InChI=1S/C17H21FO3S/c1-11-2-4-15(5-3-11)22(19,20)21-16-13-6-12-7-14(16)10-17(18,8-12)9-13/h2-5,12-14,16H,6-10H2,1H3