[(2S)-2-[(2S)-6-fluoranyl-4-oxidanylidene-2,3-dihydrochromen-2-yl]-2-oxidanyl-ethyl] 4-methylbenzenesulfonate

Systemtic Name: [(2S)-2-[(2S)-6-fluoranyl-4-oxidanylidene-2,3-dihydrochromen-2-yl]-2-oxidanyl-ethyl] 4-methylbenzenesulfonate Openeye Name: [(2S)-2-[(2S)-6-fluoro-4-oxo-chroman-2-yl]-2-hydroxy-ethyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [(2S)-2-[(2S)-6-fluoro-4-oxo-3,4-dihydro-2H-1-benzopyran-2-yl]-2-hydroxyethyl] ester IUPAC Name: [(2S)-2-[(2S)-6-fluoro-4-oxo-2,3-dihydrochromen-2-yl]-2-hydroxyethyl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [(2S)-2-[(2S)-6-fluoro-4-keto-chroman-2-yl]-2-hydroxy-ethyl] ester Formula: C18H17FO6S MolecularWeight: 380.387383

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OCC(C2CC(=O)C3=C(O2)C=CC(=C3)F)O

Isomeric SMILES

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

InChI

InChI=1S/C18H17FO6S/c1-11-2-5-13(6-3-11)26(22,23)24-10-16(21)18-9-15(20)14-8-12(19)4-7-17(14)25-18/h2-8,16,18,21H,9-10H2,1H3/t16-,18-/m0/s1