(3,4-dimethyl-2-oxidanylidene-chromen-7-yl) 4-(trifluoromethylsulfanyl)benzenesulfonate

Systemtic Name: (3,4-dimethyl-2-oxidanylidene-chromen-7-yl) 4-(trifluoromethylsulfanyl)benzenesulfonate Openeye Name: (3,4-dimethyl-2-oxo-chromen-7-yl) 4-(trifluoromethylsulfanyl)benzenesulfonate CAS Name: 4-(trifluoromethylthio)benzenesulfonic acid (3,4-dimethyl-2-oxo-1-benzopyran-7-yl) ester IUPAC Name: (3,4-dimethyl-2-oxochromen-7-yl) 4-(trifluoromethylsulfanyl)benzenesulfonate Traditional Name: 4-(trifluoromethylthio)benzenesulfonic acid (2-keto-3,4-dimethyl-chromen-7-yl) ester Formula: C18H13F3O5S2 MolecularWeight: 430.41803

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H13F3O5S2/c1-10-11(2)17(22)25-16-9-12(3-8-15(10)16)26-28(23,24)14-6-4-13(5-7-14)27-18(19,20)21/h3-9H,1-2H3