[1-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-oxidanylidene-2-(trifluoromethyl)chromen-7-yl]oxy-1-oxidanylidene-propan-2-yl]azanium

Systemtic Name: [1-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-oxidanylidene-2-(trifluoromethyl)chromen-7-yl]oxy-1-oxidanylidene-propan-2-yl]azanium Openeye Name: [2-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-oxo-2-(trifluoromethyl)chromen-7-yl]oxy-1-methyl-2-oxo-ethyl]ammonium CAS Name: [1-[[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-oxo-2-(trifluoromethyl)-1-benzopyran-7-yl]oxy]-1-oxopropan-2-yl]ammonium IUPAC Name: [1-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-oxo-2-(trifluoromethyl)chromen-7-yl]oxy-1-oxopropan-2-yl]azanium Traditional Name: [2-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-keto-2-(trifluoromethyl)chromen-7-yl]oxy-2-keto-1-methyl-ethyl]ammonium Formula: C21H17F3NO6+ MolecularWeight: 436.35799

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)OC1=CC2=C(C=C1)C(=O)C(=C(O2)C(F)(F)F)C3=CC4=C(C=C3)OCCO4)[NH3+]

Isomeric SMILES

CC(C(=O)OC1=CC2=C(C=C1)C(=O)C(=C(O2)C(F)(F)F)C3=CC4=C(C=C3)OCCO4)[NH3+]

InChI

InChI=1S/C21H16F3NO6/c1-10(25)20(27)30-12-3-4-13-15(9-12)31-19(21(22,23)24)17(18(13)26)11-2-5-14-16(8-11)29-7-6-28-14/h2-5,8-10H,6-7,25H2,1H3/p+1