8-[[methyl-(phenylmethyl)azaniumyl]methyl]-3-naphthalen-1-yl-4-oxidanylidene-2-(trifluoromethyl)chromen-7-olate

Systemtic Name: 8-[[methyl-(phenylmethyl)azaniumyl]methyl]-3-naphthalen-1-yl-4-oxidanylidene-2-(trifluoromethyl)chromen-7-olate Openeye Name: 8-[[benzyl(methyl)ammonio]methyl]-3-(1-naphthyl)-4-oxo-2-(trifluoromethyl)chromen-7-olate CAS Name: 8-[[methyl-(phenylmethyl)ammonio]methyl]-3-(1-naphthalenyl)-4-oxo-2-(trifluoromethyl)-1-benzopyran-7-olate IUPAC Name: 8-[[benzyl(methyl)azaniumyl]methyl]-3-naphthalen-1-yl-4-oxo-2-(trifluoromethyl)chromen-7-olate Traditional Name: 8-[[benzyl(methyl)ammonio]methyl]-4-keto-3-(1-naphthyl)-2-(trifluoromethyl)chromen-7-olate Formula: C29H22F3NO3 MolecularWeight: 489.48509

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CC1=CC=CC=C1)CC2=C(C=CC3=C2OC(=C(C3=O)C4=CC=CC5=CC=CC=C54)C(F)(F)F)[O-]

Isomeric SMILES

C[NH+](CC1=CC=CC=C1)CC2=C(C=CC3=C2OC(=C(C3=O)C4=CC=CC5=CC=CC=C54)C(F)(F)F)[O-]

InChI

InChI=1S/C29H22F3NO3/c1-33(16-18-8-3-2-4-9-18)17-23-24(34)15-14-22-26(35)25(28(29(30,31)32)36-27(22)23)21-13-7-11-19-10-5-6-12-20(19)21/h2-15,34H,16-17H2,1H3