[3-(4-methylphenoxy)-7-oxidanyl-4-oxidanylidene-2-(trifluoromethyl)chromen-8-yl]methyl-bis(phenylmethyl)azanium

Systemtic Name: [3-(4-methylphenoxy)-7-oxidanyl-4-oxidanylidene-2-(trifluoromethyl)chromen-8-yl]methyl-bis(phenylmethyl)azanium Openeye Name: dibenzyl-[[7-hydroxy-3-(4-methylphenoxy)-4-oxo-2-(trifluoromethyl)chromen-8-yl]methyl]ammonium CAS Name: [7-hydroxy-3-(4-methylphenoxy)-4-oxo-2-(trifluoromethyl)-1-benzopyran-8-yl]methyl-bis(phenylmethyl)ammonium IUPAC Name: dibenzyl-[[7-hydroxy-3-(4-methylphenoxy)-4-oxo-2-(trifluoromethyl)chromen-8-yl]methyl]azanium Traditional Name: dibenzyl-[[7-hydroxy-4-keto-3-(4-methylphenoxy)-2-(trifluoromethyl)chromen-8-yl]methyl]ammonium Formula: C32H27F3NO4+ MolecularWeight: 546.55629

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)OC2=C(OC3=C(C2=O)C=CC(=C3C[NH+](CC4=CC=CC=C4)CC5=CC=CC=C5)O)C(F)(F)F

Isomeric SMILES

CC1=CC=C(C=C1)OC2=C(OC3=C(C2=O)C=CC(=C3C[NH+](CC4=CC=CC=C4)CC5=CC=CC=C5)O)C(F)(F)F

InChI

InChI=1S/C32H26F3NO4/c1-21-12-14-24(15-13-21)39-30-28(38)25-16-17-27(37)26(29(25)40-31(30)32(33,34)35)20-36(18-22-8-4-2-5-9-22)19-23-10-6-3-7-11-23/h2-17,37H,18-20H2,1H3/p+1