(3-hexyl-4-methyl-2-oxidanylidene-chromen-7-yl) 4-fluoranylbenzenesulfonate

Systemtic Name: (3-hexyl-4-methyl-2-oxidanylidene-chromen-7-yl) 4-fluoranylbenzenesulfonate Openeye Name: (3-hexyl-4-methyl-2-oxo-chromen-7-yl) 4-fluorobenzenesulfonate CAS Name: 4-fluorobenzenesulfonic acid (3-hexyl-4-methyl-2-oxo-1-benzopyran-7-yl) ester IUPAC Name: (3-hexyl-4-methyl-2-oxochromen-7-yl) 4-fluorobenzenesulfonate Traditional Name: 4-fluorobenzenesulfonic acid (3-hexyl-2-keto-4-methyl-chromen-7-yl) ester Formula: C22H23FO5S MolecularWeight: 418.478423

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1=C(C2=C(C=C(C=C2)OS(=O)(=O)C3=CC=C(C=C3)F)OC1=O)C

Isomeric SMILES

CCCCCCC1=C(C2=C(C=C(C=C2)OS(=O)(=O)C3=CC=C(C=C3)F)OC1=O)C

InChI

InChI=1S/C22H23FO5S/c1-3-4-5-6-7-20-15(2)19-13-10-17(14-21(19)27-22(20)24)28-29(25,26)18-11-8-16(23)9-12-18/h8-14H,3-7H2,1-2H3