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

Systemtic Name: 8-[(dibutylazaniumyl)methyl]-3-(4-methoxyphenoxy)-4-oxidanylidene-2-(trifluoromethyl)chromen-7-olate Openeye Name: 8-[(dibutylammonio)methyl]-3-(4-methoxyphenoxy)-4-oxo-2-(trifluoromethyl)chromen-7-olate CAS Name: 8-[(dibutylammonio)methyl]-3-(4-methoxyphenoxy)-4-oxo-2-(trifluoromethyl)-1-benzopyran-7-olate IUPAC Name: 8-[(dibutylazaniumyl)methyl]-3-(4-methoxyphenoxy)-4-oxo-2-(trifluoromethyl)chromen-7-olate Traditional Name: 8-[(dibutylammonio)methyl]-4-keto-3-(4-methoxyphenoxy)-2-(trifluoromethyl)chromen-7-olate Formula: C26H30F3NO5 MolecularWeight: 493.51531

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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)OC)C(F)(F)F)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C26H30F3NO5/c1-4-6-14-30(15-7-5-2)16-20-21(31)13-12-19-22(32)24(25(26(27,28)29)35-23(19)20)34-18-10-8-17(33-3)9-11-18/h8-13,31H,4-7,14-16H2,1-3H3