8-[[methyl-(phenylmethyl)azaniumyl]methyl]-3-naphthalen-2-yloxy-4-oxidanylidene-2-(trifluoromethyl)chromen-7-olate

Systemtic Name: 8-[[methyl-(phenylmethyl)azaniumyl]methyl]-3-naphthalen-2-yloxy-4-oxidanylidene-2-(trifluoromethyl)chromen-7-olate Openeye Name: 8-[[benzyl(methyl)ammonio]methyl]-3-(2-naphthyloxy)-4-oxo-2-(trifluoromethyl)chromen-7-olate CAS Name: 8-[[methyl-(phenylmethyl)ammonio]methyl]-3-(2-naphthalenyloxy)-4-oxo-2-(trifluoromethyl)-1-benzopyran-7-olate IUPAC Name: 8-[[benzyl(methyl)azaniumyl]methyl]-3-naphthalen-2-yloxy-4-oxo-2-(trifluoromethyl)chromen-7-olate Traditional Name: 8-[[benzyl(methyl)ammonio]methyl]-4-keto-3-(2-naphthoxy)-2-(trifluoromethyl)chromen-7-olate Formula: C29H22F3NO4 MolecularWeight: 505.48449

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CC1=CC=CC=C1)CC2=C(C=CC3=C2OC(=C(C3=O)OC4=CC5=CC=CC=C5C=C4)C(F)(F)F)[O-]

Isomeric SMILES

C[NH+](CC1=CC=CC=C1)CC2=C(C=CC3=C2OC(=C(C3=O)OC4=CC5=CC=CC=C5C=C4)C(F)(F)F)[O-]

InChI

InChI=1S/C29H22F3NO4/c1-33(16-18-7-3-2-4-8-18)17-23-24(34)14-13-22-25(35)27(28(29(30,31)32)37-26(22)23)36-21-12-11-19-9-5-6-10-20(19)15-21/h2-15,34H,16-17H2,1H3