[2-oxidanylidene-4-(trifluoromethyl)chromen-7-yl] 2-chloranyl-5-methylsulfonyl-benzenesulfonate

Systemtic Name: [2-oxidanylidene-4-(trifluoromethyl)chromen-7-yl] 2-chloranyl-5-methylsulfonyl-benzenesulfonate Openeye Name: [2-oxo-4-(trifluoromethyl)chromen-7-yl] 2-chloro-5-methylsulfonyl-benzenesulfonate CAS Name: 2-chloro-5-methylsulfonylbenzenesulfonic acid [2-oxo-4-(trifluoromethyl)-1-benzopyran-7-yl] ester IUPAC Name: [2-oxo-4-(trifluoromethyl)chromen-7-yl] 2-chloro-5-methylsulfonylbenzenesulfonate Traditional Name: 2-chloro-5-mesyl-benzenesulfonic acid [2-keto-4-(trifluoromethyl)chromen-7-yl] ester Formula: C17H10ClF3O7S2 MolecularWeight: 482.83531

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H10ClF3O7S2/c1-29(23,24)10-3-5-13(18)15(7-10)30(25,26)28-9-2-4-11-12(17(19,20)21)8-16(22)27-14(11)6-9/h2-8H,1H3