8-(azepan-1-ium-1-ylmethyl)-3-(2-ethoxyphenoxy)-4-oxidanylidene-2-(trifluoromethyl)chromen-7-olate

Systemtic Name: 8-(azepan-1-ium-1-ylmethyl)-3-(2-ethoxyphenoxy)-4-oxidanylidene-2-(trifluoromethyl)chromen-7-olate Openeye Name: 8-(azepan-1-ium-1-ylmethyl)-3-(2-ethoxyphenoxy)-4-oxo-2-(trifluoromethyl)chromen-7-olate CAS Name: 8-(1-azepan-1-iumylmethyl)-3-(2-ethoxyphenoxy)-4-oxo-2-(trifluoromethyl)-1-benzopyran-7-olate IUPAC Name: 8-(azepan-1-ium-1-ylmethyl)-3-(2-ethoxyphenoxy)-4-oxo-2-(trifluoromethyl)chromen-7-olate Traditional Name: 8-(azepan-1-ium-1-ylmethyl)-3-(2-ethoxyphenoxy)-4-keto-2-(trifluoromethyl)chromen-7-olate Formula: C25H26F3NO5 MolecularWeight: 477.47285

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1OC2=C(OC3=C(C2=O)C=CC(=C3C[NH+]4CCCCCC4)[O-])C(F)(F)F

Isomeric SMILES

CCOC1=CC=CC=C1OC2=C(OC3=C(C2=O)C=CC(=C3C[NH+]4CCCCCC4)[O-])C(F)(F)F

InChI

InChI=1S/C25H26F3NO5/c1-2-32-19-9-5-6-10-20(19)33-23-21(31)16-11-12-18(30)17(15-29-13-7-3-4-8-14-29)22(16)34-24(23)25(26,27)28/h5-6,9-12,30H,2-4,7-8,13-15H2,1H3