[2-oxidanylidene-4-(trifluoromethyl)chromen-7-yl] 3-chloranyl-2-fluoranyl-benzenesulfonate

Systemtic Name: [2-oxidanylidene-4-(trifluoromethyl)chromen-7-yl] 3-chloranyl-2-fluoranyl-benzenesulfonate Openeye Name: [2-oxo-4-(trifluoromethyl)chromen-7-yl] 3-chloro-2-fluoro-benzenesulfonate CAS Name: 3-chloro-2-fluorobenzenesulfonic acid [2-oxo-4-(trifluoromethyl)-1-benzopyran-7-yl] ester IUPAC Name: [2-oxo-4-(trifluoromethyl)chromen-7-yl] 3-chloro-2-fluorobenzenesulfonate Traditional Name: 3-chloro-2-fluoro-benzenesulfonic acid [2-keto-4-(trifluoromethyl)chromen-7-yl] ester Formula: C16H7ClF4O5S MolecularWeight: 422.735393

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C(=C1)Cl)F)S(=O)(=O)OC2=CC3=C(C=C2)C(=CC(=O)O3)C(F)(F)F

Isomeric SMILES

C1=CC(=C(C(=C1)Cl)F)S(=O)(=O)OC2=CC3=C(C=C2)C(=CC(=O)O3)C(F)(F)F

InChI

InChI=1S/C16H7ClF4O5S/c17-11-2-1-3-13(15(11)18)27(23,24)26-8-4-5-9-10(16(19,20)21)7-14(22)25-12(9)6-8/h1-7H