(6-chloranyl-4-methyl-2-oxidanylidene-chromen-7-yl) 3,5-bis(trifluoromethyl)benzenesulfonate

Systemtic Name: (6-chloranyl-4-methyl-2-oxidanylidene-chromen-7-yl) 3,5-bis(trifluoromethyl)benzenesulfonate Openeye Name: (6-chloro-4-methyl-2-oxo-chromen-7-yl) 3,5-bis(trifluoromethyl)benzenesulfonate CAS Name: 3,5-bis(trifluoromethyl)benzenesulfonic acid (6-chloro-4-methyl-2-oxo-1-benzopyran-7-yl) ester IUPAC Name: (6-chloro-4-methyl-2-oxochromen-7-yl) 3,5-bis(trifluoromethyl)benzenesulfonate Traditional Name: 3,5-bis(trifluoromethyl)benzenesulfonic acid (6-chloro-2-keto-4-methyl-chromen-7-yl) ester Formula: C18H9ClF6O5S MolecularWeight: 486.769479

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=O)OC2=CC(=C(C=C12)Cl)OS(=O)(=O)C3=CC(=CC(=C3)C(F)(F)F)C(F)(F)F

Isomeric SMILES

CC1=CC(=O)OC2=CC(=C(C=C12)Cl)OS(=O)(=O)C3=CC(=CC(=C3)C(F)(F)F)C(F)(F)F

InChI

InChI=1S/C18H9ClF6O5S/c1-8-2-16(26)29-14-7-15(13(19)6-12(8)14)30-31(27,28)11-4-9(17(20,21)22)3-10(5-11)18(23,24)25/h2-7H,1H3