(6-fluoranyl-8-phenyl-3,4-dihydro-2H-chromen-2-yl)methyl 4-methylbenzenesulfonate

Systemtic Name: (6-fluoranyl-8-phenyl-3,4-dihydro-2H-chromen-2-yl)methyl 4-methylbenzenesulfonate Openeye Name: (6-fluoro-8-phenyl-chroman-2-yl)methyl 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid (6-fluoro-8-phenyl-3,4-dihydro-2H-1-benzopyran-2-yl)methyl ester IUPAC Name: (6-fluoro-8-phenyl-3,4-dihydro-2H-chromen-2-yl)methyl 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid (6-fluoro-8-phenyl-chroman-2-yl)methyl ester Formula: C23H21FO4S MolecularWeight: 412.473843

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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)C4=CC=CC=C4

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OCC2CCC3=C(O2)C(=CC(=C3)F)C4=CC=CC=C4

InChI

InChI=1S/C23H21FO4S/c1-16-7-11-21(12-8-16)29(25,26)27-15-20-10-9-18-13-19(24)14-22(23(18)28-20)17-5-3-2-4-6-17/h2-8,11-14,20H,9-10,15H2,1H3