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

Systemtic Name: [3-(4-tert-butylphenoxy)-7-oxidanyl-4-oxidanylidene-2-(trifluoromethyl)chromen-8-yl]methyl-ethyl-(phenylmethyl)azanium Openeye Name: benzyl-[[3-(4-tert-butylphenoxy)-7-hydroxy-4-oxo-2-(trifluoromethyl)chromen-8-yl]methyl]-ethyl-ammonium CAS Name: [3-(4-tert-butylphenoxy)-7-hydroxy-4-oxo-2-(trifluoromethyl)-1-benzopyran-8-yl]methyl-ethyl-(phenylmethyl)ammonium IUPAC Name: benzyl-[[3-(4-tert-butylphenoxy)-7-hydroxy-4-oxo-2-(trifluoromethyl)chromen-8-yl]methyl]-ethylazanium Traditional Name: benzyl-[[3-(4-tert-butylphenoxy)-7-hydroxy-4-keto-2-(trifluoromethyl)chromen-8-yl]methyl]-ethyl-ammonium Formula: C30H31F3NO4+ MolecularWeight: 526.56665

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C30H30F3NO4/c1-5-34(17-19-9-7-6-8-10-19)18-23-24(35)16-15-22-25(36)27(28(30(31,32)33)38-26(22)23)37-21-13-11-20(12-14-21)29(2,3)4/h6-16,35H,5,17-18H2,1-4H3/p+1