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

Systemtic Name: 3-(3,5-dimethylphenoxy)-8-[(dipropylazaniumyl)methyl]-4-oxidanylidene-2-(trifluoromethyl)chromen-7-olate Openeye Name: 3-(3,5-dimethylphenoxy)-8-[(dipropylammonio)methyl]-4-oxo-2-(trifluoromethyl)chromen-7-olate CAS Name: 3-(3,5-dimethylphenoxy)-8-[(dipropylammonio)methyl]-4-oxo-2-(trifluoromethyl)-1-benzopyran-7-olate IUPAC Name: 3-(3,5-dimethylphenoxy)-8-[(dipropylazaniumyl)methyl]-4-oxo-2-(trifluoromethyl)chromen-7-olate Traditional Name: 3-(3,5-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=CC(=CC(=C3)C)C)C(F)(F)F)[O-]

Isomeric SMILES

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

InChI

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