8-[(dibutylazaniumyl)methyl]-4-oxidanylidene-3-(4-phenylphenoxy)-2-(trifluoromethyl)chromen-7-olate

Systemtic Name: 8-[(dibutylazaniumyl)methyl]-4-oxidanylidene-3-(4-phenylphenoxy)-2-(trifluoromethyl)chromen-7-olate Openeye Name: 8-[(dibutylammonio)methyl]-4-oxo-3-(4-phenylphenoxy)-2-(trifluoromethyl)chromen-7-olate CAS Name: 8-[(dibutylammonio)methyl]-4-oxo-3-(4-phenylphenoxy)-2-(trifluoromethyl)-1-benzopyran-7-olate IUPAC Name: 8-[(dibutylazaniumyl)methyl]-4-oxo-3-(4-phenylphenoxy)-2-(trifluoromethyl)chromen-7-olate Traditional Name: 8-[(dibutylammonio)methyl]-4-keto-3-(4-phenylphenoxy)-2-(trifluoromethyl)chromen-7-olate Formula: C31H32F3NO4 MolecularWeight: 539.58529

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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