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

Systemtic Name: dibutyl-[[7-oxidanyl-4-oxidanylidene-3-(4-phenylphenoxy)-2-(trifluoromethyl)chromen-8-yl]methyl]azanium Openeye Name: dibutyl-[[7-hydroxy-4-oxo-3-(4-phenylphenoxy)-2-(trifluoromethyl)chromen-8-yl]methyl]ammonium CAS Name: dibutyl-[[7-hydroxy-4-oxo-3-(4-phenylphenoxy)-2-(trifluoromethyl)-1-benzopyran-8-yl]methyl]ammonium IUPAC Name: dibutyl-[[7-hydroxy-4-oxo-3-(4-phenylphenoxy)-2-(trifluoromethyl)chromen-8-yl]methyl]azanium Traditional Name: dibutyl-[[7-hydroxy-4-keto-3-(4-phenylphenoxy)-2-(trifluoromethyl)chromen-8-yl]methyl]ammonium Formula: C31H33F3NO4+ MolecularWeight: 540.59323

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCCC[NH+](CCCC)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/C31H32F3NO4/c1-3-5-18-35(19-6-4-2)20-25-26(36)17-16-24-27(37)29(30(31(32,33)34)39-28(24)25)38-23-14-12-22(13-15-23)21-10-8-7-9-11-21/h7-17,36H,3-6,18-20H2,1-2H3/p+1