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

Systemtic Name: [3-(3-methylphenoxy)-7-oxidanyl-4-oxidanylidene-2-(trifluoromethyl)chromen-8-yl]methyl-bis(2-methylpropyl)azanium Openeye Name: [7-hydroxy-3-(3-methylphenoxy)-4-oxo-2-(trifluoromethyl)chromen-8-yl]methyl-diisobutyl-ammonium CAS Name: [7-hydroxy-3-(3-methylphenoxy)-4-oxo-2-(trifluoromethyl)-1-benzopyran-8-yl]methyl-bis(2-methylpropyl)ammonium IUPAC Name: [7-hydroxy-3-(3-methylphenoxy)-4-oxo-2-(trifluoromethyl)chromen-8-yl]methyl-bis(2-methylpropyl)azanium Traditional Name: [7-hydroxy-4-keto-3-(3-methylphenoxy)-2-(trifluoromethyl)chromen-8-yl]methyl-diisobutyl-ammonium Formula: C26H31F3NO4+ MolecularWeight: 478.52385

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H30F3NO4/c1-15(2)12-30(13-16(3)4)14-20-21(31)10-9-19-22(32)24(25(26(27,28)29)34-23(19)20)33-18-8-6-7-17(5)11-18/h6-11,15-16,31H,12-14H2,1-5H3/p+1