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

Systemtic Name: 3-(2-chloranylphenoxy)-8-[(dipropylazaniumyl)methyl]-4-oxidanylidene-2-(trifluoromethyl)chromen-7-olate Openeye Name: 3-(2-chlorophenoxy)-8-[(dipropylammonio)methyl]-4-oxo-2-(trifluoromethyl)chromen-7-olate CAS Name: 3-(2-chlorophenoxy)-8-[(dipropylammonio)methyl]-4-oxo-2-(trifluoromethyl)-1-benzopyran-7-olate IUPAC Name: 3-(2-chlorophenoxy)-8-[(dipropylazaniumyl)methyl]-4-oxo-2-(trifluoromethyl)chromen-7-olate Traditional Name: 3-(2-chlorophenoxy)-8-[(dipropylammonio)methyl]-4-keto-2-(trifluoromethyl)chromen-7-olate Formula: C23H23ClF3NO4 MolecularWeight: 469.88123

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Descriptors Computed from Structure

Canonical SMILES:

CCC[NH+](CCC)CC1=C(C=CC2=C1OC(=C(C2=O)OC3=CC=CC=C3Cl)C(F)(F)F)[O-]

Isomeric SMILES

CCC[NH+](CCC)CC1=C(C=CC2=C1OC(=C(C2=O)OC3=CC=CC=C3Cl)C(F)(F)F)[O-]

InChI

InChI=1S/C23H23ClF3NO4/c1-3-11-28(12-4-2)13-15-17(29)10-9-14-19(30)21(22(23(25,26)27)32-20(14)15)31-18-8-6-5-7-16(18)24/h5-10,29H,3-4,11-13H2,1-2H3