[3-(4-chlorophenyl)-4-methyl-2-oxidanylidene-chromen-6-yl] 4-fluoranylbenzenesulfonate

Systemtic Name: [3-(4-chlorophenyl)-4-methyl-2-oxidanylidene-chromen-6-yl] 4-fluoranylbenzenesulfonate Openeye Name: [3-(4-chlorophenyl)-4-methyl-2-oxo-chromen-6-yl] 4-fluorobenzenesulfonate CAS Name: 4-fluorobenzenesulfonic acid [3-(4-chlorophenyl)-4-methyl-2-oxo-1-benzopyran-6-yl] ester IUPAC Name: [3-(4-chlorophenyl)-4-methyl-2-oxochromen-6-yl] 4-fluorobenzenesulfonate Traditional Name: 4-fluorobenzenesulfonic acid [3-(4-chlorophenyl)-2-keto-4-methyl-chromen-6-yl] ester Formula: C22H14ClFO5S MolecularWeight: 444.859963

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)OC2=C1C=C(C=C2)OS(=O)(=O)C3=CC=C(C=C3)F)C4=CC=C(C=C4)Cl

Isomeric SMILES

CC1=C(C(=O)OC2=C1C=C(C=C2)OS(=O)(=O)C3=CC=C(C=C3)F)C4=CC=C(C=C4)Cl

InChI

InChI=1S/C22H14ClFO5S/c1-13-19-12-17(29-30(26,27)18-9-6-16(24)7-10-18)8-11-20(19)28-22(25)21(13)14-2-4-15(23)5-3-14/h2-12H,1H3