[6-fluoranyl-3-(hydroxymethyl)-4-oxidanylidene-2H-thiochromen-3-yl]methyl 4-tert-butylbenzenesulfonate

Systemtic Name: [6-fluoranyl-3-(hydroxymethyl)-4-oxidanylidene-2H-thiochromen-3-yl]methyl 4-tert-butylbenzenesulfonate Openeye Name: [6-fluoro-3-(hydroxymethyl)-4-oxo-thiochroman-3-yl]methyl 4-tert-butylbenzenesulfonate CAS Name: 4-tert-butylbenzenesulfonic acid [6-fluoro-3-(hydroxymethyl)-4-oxo-2H-1-benzothiopyran-3-yl]methyl ester IUPAC Name: [6-fluoro-3-(hydroxymethyl)-4-oxo-2H-thiochromen-3-yl]methyl 4-tert-butylbenzenesulfonate Traditional Name: 4-tert-butylbenzenesulfonic acid (6-fluoro-4-keto-3-methylol-thiochroman-3-yl)methyl ester Formula: C21H23FO5S2 MolecularWeight: 438.532723

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)S(=O)(=O)OCC2(CSC3=C(C2=O)C=C(C=C3)F)CO

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)S(=O)(=O)OCC2(CSC3=C(C2=O)C=C(C=C3)F)CO

InChI

InChI=1S/C21H23FO5S2/c1-20(2,3)14-4-7-16(8-5-14)29(25,26)27-12-21(11-23)13-28-18-9-6-15(22)10-17(18)19(21)24/h4-10,23H,11-13H2,1-3H3