(6-fluoranyl-3,4-dihydro-2H-chromen-2-yl)methyl 4-methylbenzenesulfonate

Systemtic Name: (6-fluoranyl-3,4-dihydro-2H-chromen-2-yl)methyl 4-methylbenzenesulfonate Openeye Name: (6-fluorochroman-2-yl)methyl 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid (6-fluoro-3,4-dihydro-2H-1-benzopyran-2-yl)methyl ester IUPAC Name: (6-fluoro-3,4-dihydro-2H-chromen-2-yl)methyl 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid (6-fluorochroman-2-yl)methyl ester Formula: C17H17FO4S MolecularWeight: 336.377883

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OCC2CCC3=C(O2)C=CC(=C3)F

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OCC2CCC3=C(O2)C=CC(=C3)F

InChI

InChI=1S/C17H17FO4S/c1-12-2-7-16(8-3-12)23(19,20)21-11-15-6-4-13-10-14(18)5-9-17(13)22-15/h2-3,5,7-10,15H,4,6,11H2,1H3