[3-[(2-chloranyl-6-fluoranyl-phenyl)methyl]-2-oxidanylidene-4-propyl-chromen-7-yl] 4-chloranylbenzenesulfonate

Systemtic Name: [3-[(2-chloranyl-6-fluoranyl-phenyl)methyl]-2-oxidanylidene-4-propyl-chromen-7-yl] 4-chloranylbenzenesulfonate Openeye Name: [3-[(2-chloro-6-fluoro-phenyl)methyl]-2-oxo-4-propyl-chromen-7-yl] 4-chlorobenzenesulfonate CAS Name: 4-chlorobenzenesulfonic acid [3-[(2-chloro-6-fluorophenyl)methyl]-2-oxo-4-propyl-1-benzopyran-7-yl] ester IUPAC Name: [3-[(2-chloro-6-fluorophenyl)methyl]-2-oxo-4-propylchromen-7-yl] 4-chlorobenzenesulfonate Traditional Name: 4-chlorobenzenesulfonic acid [3-(2-chloro-6-fluoro-benzyl)-2-keto-4-propyl-chromen-7-yl] ester Formula: C25H19Cl2FO5S MolecularWeight: 521.384763

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C(=O)OC2=C1C=CC(=C2)OS(=O)(=O)C3=CC=C(C=C3)Cl)CC4=C(C=CC=C4Cl)F

Isomeric SMILES

CCCC1=C(C(=O)OC2=C1C=CC(=C2)OS(=O)(=O)C3=CC=C(C=C3)Cl)CC4=C(C=CC=C4Cl)F

InChI

InChI=1S/C25H19Cl2FO5S/c1-2-4-18-19-12-9-16(33-34(30,31)17-10-7-15(26)8-11-17)13-24(19)32-25(29)20(18)14-21-22(27)5-3-6-23(21)28/h3,5-13H,2,4,14H2,1H3