[(2R)-2-[(2R)-6-fluoranyl-3,4-dihydro-2H-chromen-2-yl]-2-oxidanyl-ethyl] 4-methylbenzenesulfonate

Systemtic Name: [(2R)-2-[(2R)-6-fluoranyl-3,4-dihydro-2H-chromen-2-yl]-2-oxidanyl-ethyl] 4-methylbenzenesulfonate Openeye Name: [(2R)-2-[(2R)-6-fluorochroman-2-yl]-2-hydroxy-ethyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [(2R)-2-[(2R)-6-fluoro-3,4-dihydro-2H-1-benzopyran-2-yl]-2-hydroxyethyl] ester IUPAC Name: [(2R)-2-[(2R)-6-fluoro-3,4-dihydro-2H-chromen-2-yl]-2-hydroxyethyl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [(2R)-2-[(2R)-6-fluorochroman-2-yl]-2-hydroxy-ethyl] ester Formula: C18H19FO5S MolecularWeight: 366.403863

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OCC(C2CCC3=C(O2)C=CC(=C3)F)O

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OC[C@H]([C@H]2CCC3=C(O2)C=CC(=C3)F)O

InChI

InChI=1S/C18H19FO5S/c1-12-2-6-15(7-3-12)25(21,22)23-11-16(20)18-8-4-13-10-14(19)5-9-17(13)24-18/h2-3,5-7,9-10,16,18,20H,4,8,11H2,1H3/t16-,18-/m1/s1