[3-(3,4-dimethoxyphenyl)-4-oxidanylidene-2-(trifluoromethyl)chromen-7-yl] methanesulfonate

Systemtic Name: [3-(3,4-dimethoxyphenyl)-4-oxidanylidene-2-(trifluoromethyl)chromen-7-yl] methanesulfonate Openeye Name: [3-(3,4-dimethoxyphenyl)-4-oxo-2-(trifluoromethyl)chromen-7-yl] methanesulfonate CAS Name: methanesulfonic acid [3-(3,4-dimethoxyphenyl)-4-oxo-2-(trifluoromethyl)-1-benzopyran-7-yl] ester IUPAC Name: [3-(3,4-dimethoxyphenyl)-4-oxo-2-(trifluoromethyl)chromen-7-yl] methanesulfonate Traditional Name: methanesulfonic acid [3-(3,4-dimethoxyphenyl)-4-keto-2-(trifluoromethyl)chromen-7-yl] ester Formula: C19H15F3O7S MolecularWeight: 444.37841

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=C(OC3=C(C2=O)C=CC(=C3)OS(=O)(=O)C)C(F)(F)F)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C2=C(OC3=C(C2=O)C=CC(=C3)OS(=O)(=O)C)C(F)(F)F)OC

InChI

InChI=1S/C19H15F3O7S/c1-26-13-7-4-10(8-15(13)27-2)16-17(23)12-6-5-11(29-30(3,24)25)9-14(12)28-18(16)19(20,21)22/h4-9H,1-3H3