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

Systemtic Name: [3-(4-ethylphenoxy)-7-oxidanyl-4-oxidanylidene-2-(trifluoromethyl)chromen-8-yl]methyl-bis(phenylmethyl)azanium Openeye Name: dibenzyl-[[3-(4-ethylphenoxy)-7-hydroxy-4-oxo-2-(trifluoromethyl)chromen-8-yl]methyl]ammonium CAS Name: [3-(4-ethylphenoxy)-7-hydroxy-4-oxo-2-(trifluoromethyl)-1-benzopyran-8-yl]methyl-bis(phenylmethyl)ammonium IUPAC Name: dibenzyl-[[3-(4-ethylphenoxy)-7-hydroxy-4-oxo-2-(trifluoromethyl)chromen-8-yl]methyl]azanium Traditional Name: dibenzyl-[[3-(4-ethylphenoxy)-7-hydroxy-4-keto-2-(trifluoromethyl)chromen-8-yl]methyl]ammonium Formula: C33H29F3NO4+ MolecularWeight: 560.58287

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=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

CCC1=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/C33H28F3NO4/c1-2-22-13-15-25(16-14-22)40-31-29(39)26-17-18-28(38)27(30(26)41-32(31)33(34,35)36)21-37(19-23-9-5-3-6-10-23)20-24-11-7-4-8-12-24/h3-18,38H,2,19-21H2,1H3/p+1