4-oxidanylidene-3-(4-phenylphenoxy)-8-(piperidin-1-ium-1-ylmethyl)-2-(trifluoromethyl)chromen-7-olate

Systemtic Name: 4-oxidanylidene-3-(4-phenylphenoxy)-8-(piperidin-1-ium-1-ylmethyl)-2-(trifluoromethyl)chromen-7-olate Openeye Name: 4-oxo-3-(4-phenylphenoxy)-8-(piperidin-1-ium-1-ylmethyl)-2-(trifluoromethyl)chromen-7-olate CAS Name: 4-oxo-3-(4-phenylphenoxy)-8-(1-piperidin-1-iumylmethyl)-2-(trifluoromethyl)-1-benzopyran-7-olate IUPAC Name: 4-oxo-3-(4-phenylphenoxy)-8-(piperidin-1-ium-1-ylmethyl)-2-(trifluoromethyl)chromen-7-olate Traditional Name: 4-keto-3-(4-phenylphenoxy)-8-(piperidin-1-ium-1-ylmethyl)-2-(trifluoromethyl)chromen-7-olate Formula: C28H24F3NO4 MolecularWeight: 495.48967

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)CC2=C(C=CC3=C2OC(=C(C3=O)OC4=CC=C(C=C4)C5=CC=CC=C5)C(F)(F)F)[O-]

Isomeric SMILES

C1CC[NH+](CC1)CC2=C(C=CC3=C2OC(=C(C3=O)OC4=CC=C(C=C4)C5=CC=CC=C5)C(F)(F)F)[O-]

InChI

InChI=1S/C28H24F3NO4/c29-28(30,31)27-26(35-20-11-9-19(10-12-20)18-7-3-1-4-8-18)24(34)21-13-14-23(33)22(25(21)36-27)17-32-15-5-2-6-16-32/h1,3-4,7-14,33H,2,5-6,15-17H2