diethyl-[[7-oxidanyl-4-oxidanylidene-3-(4-phenylphenoxy)-2-(trifluoromethyl)chromen-8-yl]methyl]azanium

Systemtic Name: diethyl-[[7-oxidanyl-4-oxidanylidene-3-(4-phenylphenoxy)-2-(trifluoromethyl)chromen-8-yl]methyl]azanium Openeye Name: diethyl-[[7-hydroxy-4-oxo-3-(4-phenylphenoxy)-2-(trifluoromethyl)chromen-8-yl]methyl]ammonium CAS Name: diethyl-[[7-hydroxy-4-oxo-3-(4-phenylphenoxy)-2-(trifluoromethyl)-1-benzopyran-8-yl]methyl]ammonium IUPAC Name: diethyl-[[7-hydroxy-4-oxo-3-(4-phenylphenoxy)-2-(trifluoromethyl)chromen-8-yl]methyl]azanium Traditional Name: diethyl-[[7-hydroxy-4-keto-3-(4-phenylphenoxy)-2-(trifluoromethyl)chromen-8-yl]methyl]ammonium Formula: C27H25F3NO4+ MolecularWeight: 484.48691

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)CC1=C(C=CC2=C1OC(=C(C2=O)OC3=CC=C(C=C3)C4=CC=CC=C4)C(F)(F)F)O

Isomeric SMILES

CC[NH+](CC)CC1=C(C=CC2=C1OC(=C(C2=O)OC3=CC=C(C=C3)C4=CC=CC=C4)C(F)(F)F)O

InChI

InChI=1S/C27H24F3NO4/c1-3-31(4-2)16-21-22(32)15-14-20-23(33)25(26(27(28,29)30)35-24(20)21)34-19-12-10-18(11-13-19)17-8-6-5-7-9-17/h5-15,32H,3-4,16H2,1-2H3/p+1