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

Systemtic Name: 3-(2,5-dimethylphenoxy)-8-[(dipropylazaniumyl)methyl]-4-oxidanylidene-2-(trifluoromethyl)chromen-7-olate Openeye Name: 3-(2,5-dimethylphenoxy)-8-[(dipropylammonio)methyl]-4-oxo-2-(trifluoromethyl)chromen-7-olate CAS Name: 3-(2,5-dimethylphenoxy)-8-[(dipropylammonio)methyl]-4-oxo-2-(trifluoromethyl)-1-benzopyran-7-olate IUPAC Name: 3-(2,5-dimethylphenoxy)-8-[(dipropylazaniumyl)methyl]-4-oxo-2-(trifluoromethyl)chromen-7-olate Traditional Name: 3-(2,5-dimethylphenoxy)-8-[(dipropylammonio)methyl]-4-keto-2-(trifluoromethyl)chromen-7-olate Formula: C25H28F3NO4 MolecularWeight: 463.48933

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H28F3NO4/c1-5-11-29(12-6-2)14-18-19(30)10-9-17-21(31)23(24(25(26,27)28)33-22(17)18)32-20-13-15(3)7-8-16(20)4/h7-10,13,30H,5-6,11-12,14H2,1-4H3