8-[(dipropylazaniumyl)methyl]-4-oxidanylidene-3-(2-propan-2-ylphenoxy)-2-(trifluoromethyl)chromen-7-olate

Systemtic Name: 8-[(dipropylazaniumyl)methyl]-4-oxidanylidene-3-(2-propan-2-ylphenoxy)-2-(trifluoromethyl)chromen-7-olate Openeye Name: 8-[(dipropylammonio)methyl]-3-(2-isopropylphenoxy)-4-oxo-2-(trifluoromethyl)chromen-7-olate CAS Name: 8-[(dipropylammonio)methyl]-4-oxo-3-(2-propan-2-ylphenoxy)-2-(trifluoromethyl)-1-benzopyran-7-olate IUPAC Name: 8-[(dipropylazaniumyl)methyl]-4-oxo-3-(2-propan-2-ylphenoxy)-2-(trifluoromethyl)chromen-7-olate Traditional Name: 8-[(dipropylammonio)methyl]-3-(2-isopropylphenoxy)-4-keto-2-(trifluoromethyl)chromen-7-olate Formula: C26H30F3NO4 MolecularWeight: 477.51591

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Descriptors Computed from Structure

Canonical SMILES:

CCC[NH+](CCC)CC1=C(C=CC2=C1OC(=C(C2=O)OC3=CC=CC=C3C(C)C)C(F)(F)F)[O-]

Isomeric SMILES

CCC[NH+](CCC)CC1=C(C=CC2=C1OC(=C(C2=O)OC3=CC=CC=C3C(C)C)C(F)(F)F)[O-]

InChI

InChI=1S/C26H30F3NO4/c1-5-13-30(14-6-2)15-19-20(31)12-11-18-22(32)24(25(26(27,28)29)34-23(18)19)33-21-10-8-7-9-17(21)16(3)4/h7-12,16,31H,5-6,13-15H2,1-4H3