[3-[(4-fluorophenyl)methyl]-4-methyl-2-oxidanylidene-chromen-7-yl] 3-chloranylbenzenesulfonate

Systemtic Name: [3-[(4-fluorophenyl)methyl]-4-methyl-2-oxidanylidene-chromen-7-yl] 3-chloranylbenzenesulfonate Openeye Name: [3-[(4-fluorophenyl)methyl]-4-methyl-2-oxo-chromen-7-yl] 3-chlorobenzenesulfonate CAS Name: 3-chlorobenzenesulfonic acid [3-[(4-fluorophenyl)methyl]-4-methyl-2-oxo-1-benzopyran-7-yl] ester IUPAC Name: [3-[(4-fluorophenyl)methyl]-4-methyl-2-oxochromen-7-yl] 3-chlorobenzenesulfonate Traditional Name: 3-chlorobenzenesulfonic acid [3-(4-fluorobenzyl)-2-keto-4-methyl-chromen-7-yl] ester Formula: C23H16ClFO5S MolecularWeight: 458.886543

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)OC2=C1C=CC(=C2)OS(=O)(=O)C3=CC(=CC=C3)Cl)CC4=CC=C(C=C4)F

Isomeric SMILES

CC1=C(C(=O)OC2=C1C=CC(=C2)OS(=O)(=O)C3=CC(=CC=C3)Cl)CC4=CC=C(C=C4)F

InChI

InChI=1S/C23H16ClFO5S/c1-14-20-10-9-18(30-31(27,28)19-4-2-3-16(24)12-19)13-22(20)29-23(26)21(14)11-15-5-7-17(25)8-6-15/h2-10,12-13H,11H2,1H3