3-(2-ethoxyphenoxy)-8-(morpholin-4-ium-4-ylmethyl)-4-oxidanylidene-2-(trifluoromethyl)chromen-7-olate

Systemtic Name: 3-(2-ethoxyphenoxy)-8-(morpholin-4-ium-4-ylmethyl)-4-oxidanylidene-2-(trifluoromethyl)chromen-7-olate Openeye Name: 3-(2-ethoxyphenoxy)-8-(morpholin-4-ium-4-ylmethyl)-4-oxo-2-(trifluoromethyl)chromen-7-olate CAS Name: 3-(2-ethoxyphenoxy)-8-(4-morpholin-4-iumylmethyl)-4-oxo-2-(trifluoromethyl)-1-benzopyran-7-olate IUPAC Name: 3-(2-ethoxyphenoxy)-8-(morpholin-4-ium-4-ylmethyl)-4-oxo-2-(trifluoromethyl)chromen-7-olate Traditional Name: 3-(2-ethoxyphenoxy)-4-keto-8-(morpholin-4-ium-4-ylmethyl)-2-(trifluoromethyl)chromen-7-olate Formula: C23H22F3NO6 MolecularWeight: 465.41909

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1OC2=C(OC3=C(C2=O)C=CC(=C3C[NH+]4CCOCC4)[O-])C(F)(F)F

Isomeric SMILES

CCOC1=CC=CC=C1OC2=C(OC3=C(C2=O)C=CC(=C3C[NH+]4CCOCC4)[O-])C(F)(F)F

InChI

InChI=1S/C23H22F3NO6/c1-2-31-17-5-3-4-6-18(17)32-21-19(29)14-7-8-16(28)15(13-27-9-11-30-12-10-27)20(14)33-22(21)23(24,25)26/h3-8,28H,2,9-13H2,1H3