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

Systemtic Name: 8-[(dipropylazaniumyl)methyl]-3-(3-methylphenoxy)-4-oxidanylidene-2-(trifluoromethyl)chromen-7-olate Openeye Name: 8-[(dipropylammonio)methyl]-3-(3-methylphenoxy)-4-oxo-2-(trifluoromethyl)chromen-7-olate CAS Name: 8-[(dipropylammonio)methyl]-3-(3-methylphenoxy)-4-oxo-2-(trifluoromethyl)-1-benzopyran-7-olate IUPAC Name: 8-[(dipropylazaniumyl)methyl]-3-(3-methylphenoxy)-4-oxo-2-(trifluoromethyl)chromen-7-olate Traditional Name: 8-[(dipropylammonio)methyl]-4-keto-3-(3-methylphenoxy)-2-(trifluoromethyl)chromen-7-olate Formula: C24H26F3NO4 MolecularWeight: 449.46275

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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(F)(F)F)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C24H26F3NO4/c1-4-11-28(12-5-2)14-18-19(29)10-9-17-20(30)22(23(24(25,26)27)32-21(17)18)31-16-8-6-7-15(3)13-16/h6-10,13,29H,4-5,11-12,14H2,1-3H3