8-[(2-ethylpiperidin-1-ium-1-yl)methyl]-4-oxidanylidene-3-(4-phenylphenoxy)-2-(trifluoromethyl)chromen-7-olate

Systemtic Name: 8-[(2-ethylpiperidin-1-ium-1-yl)methyl]-4-oxidanylidene-3-(4-phenylphenoxy)-2-(trifluoromethyl)chromen-7-olate Openeye Name: 8-[(2-ethylpiperidin-1-ium-1-yl)methyl]-4-oxo-3-(4-phenylphenoxy)-2-(trifluoromethyl)chromen-7-olate CAS Name: 8-[(2-ethyl-1-piperidin-1-iumyl)methyl]-4-oxo-3-(4-phenylphenoxy)-2-(trifluoromethyl)-1-benzopyran-7-olate IUPAC Name: 8-[(2-ethylpiperidin-1-ium-1-yl)methyl]-4-oxo-3-(4-phenylphenoxy)-2-(trifluoromethyl)chromen-7-olate Traditional Name: 8-[(2-ethylpiperidin-1-ium-1-yl)methyl]-4-keto-3-(4-phenylphenoxy)-2-(trifluoromethyl)chromen-7-olate Formula: C30H28F3NO4 MolecularWeight: 523.54283

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Descriptors Computed from Structure

Canonical SMILES:

CCC1CCCC[NH+]1CC2=C(C=CC3=C2OC(=C(C3=O)OC4=CC=C(C=C4)C5=CC=CC=C5)C(F)(F)F)[O-]

Isomeric SMILES

CCC1CCCC[NH+]1CC2=C(C=CC3=C2OC(=C(C3=O)OC4=CC=C(C=C4)C5=CC=CC=C5)C(F)(F)F)[O-]

InChI

InChI=1S/C30H28F3NO4/c1-2-21-10-6-7-17-34(21)18-24-25(35)16-15-23-26(36)28(29(30(31,32)33)38-27(23)24)37-22-13-11-20(12-14-22)19-8-4-3-5-9-19/h3-5,8-9,11-16,21,35H,2,6-7,10,17-18H2,1H3