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

Systemtic Name: [3-(4-tert-butylphenoxy)-7-oxidanyl-4-oxidanylidene-2-(trifluoromethyl)chromen-8-yl]methyl-bis(phenylmethyl)azanium Openeye Name: dibenzyl-[[3-(4-tert-butylphenoxy)-7-hydroxy-4-oxo-2-(trifluoromethyl)chromen-8-yl]methyl]ammonium CAS Name: [3-(4-tert-butylphenoxy)-7-hydroxy-4-oxo-2-(trifluoromethyl)-1-benzopyran-8-yl]methyl-bis(phenylmethyl)ammonium IUPAC Name: dibenzyl-[[3-(4-tert-butylphenoxy)-7-hydroxy-4-oxo-2-(trifluoromethyl)chromen-8-yl]methyl]azanium Traditional Name: dibenzyl-[[3-(4-tert-butylphenoxy)-7-hydroxy-4-keto-2-(trifluoromethyl)chromen-8-yl]methyl]ammonium Formula: C35H33F3NO4+ MolecularWeight: 588.63603

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=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

CC(C)(C)C1=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/C35H32F3NO4/c1-34(2,3)25-14-16-26(17-15-25)42-32-30(41)27-18-19-29(40)28(31(27)43-33(32)35(36,37)38)22-39(20-23-10-6-4-7-11-23)21-24-12-8-5-9-13-24/h4-19,40H,20-22H2,1-3H3/p+1