8-[(dibutylazaniumyl)methyl]-3-(2,5-dimethylphenoxy)-4-oxidanylidene-2-(trifluoromethyl)chromen-7-olate

Systemtic Name: 8-[(dibutylazaniumyl)methyl]-3-(2,5-dimethylphenoxy)-4-oxidanylidene-2-(trifluoromethyl)chromen-7-olate Openeye Name: 8-[(dibutylammonio)methyl]-3-(2,5-dimethylphenoxy)-4-oxo-2-(trifluoromethyl)chromen-7-olate CAS Name: 8-[(dibutylammonio)methyl]-3-(2,5-dimethylphenoxy)-4-oxo-2-(trifluoromethyl)-1-benzopyran-7-olate IUPAC Name: 8-[(dibutylazaniumyl)methyl]-3-(2,5-dimethylphenoxy)-4-oxo-2-(trifluoromethyl)chromen-7-olate Traditional Name: 8-[(dibutylammonio)methyl]-3-(2,5-dimethylphenoxy)-4-keto-2-(trifluoromethyl)chromen-7-olate Formula: C27H32F3NO4 MolecularWeight: 491.54249

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H32F3NO4/c1-5-7-13-31(14-8-6-2)16-20-21(32)12-11-19-23(33)25(26(27(28,29)30)35-24(19)20)34-22-15-17(3)9-10-18(22)4/h9-12,15,32H,5-8,13-14,16H2,1-4H3