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

Systemtic Name: [3-(4-methoxyphenoxy)-7-oxidanyl-4-oxidanylidene-2-(trifluoromethyl)chromen-8-yl]methyl-bis(2-methylpropyl)azanium Openeye Name: [7-hydroxy-3-(4-methoxyphenoxy)-4-oxo-2-(trifluoromethyl)chromen-8-yl]methyl-diisobutyl-ammonium CAS Name: [7-hydroxy-3-(4-methoxyphenoxy)-4-oxo-2-(trifluoromethyl)-1-benzopyran-8-yl]methyl-bis(2-methylpropyl)ammonium IUPAC Name: [7-hydroxy-3-(4-methoxyphenoxy)-4-oxo-2-(trifluoromethyl)chromen-8-yl]methyl-bis(2-methylpropyl)azanium Traditional Name: [7-hydroxy-4-keto-3-(4-methoxyphenoxy)-2-(trifluoromethyl)chromen-8-yl]methyl-diisobutyl-ammonium Formula: C26H31F3NO5+ MolecularWeight: 494.52325

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C[NH+](CC1=C(C=CC2=C1OC(=C(C2=O)OC3=CC=C(C=C3)OC)C(F)(F)F)O)CC(C)C

Isomeric SMILES

CC(C)C[NH+](CC1=C(C=CC2=C1OC(=C(C2=O)OC3=CC=C(C=C3)OC)C(F)(F)F)O)CC(C)C

InChI

InChI=1S/C26H30F3NO5/c1-15(2)12-30(13-16(3)4)14-20-21(31)11-10-19-22(32)24(25(26(27,28)29)35-23(19)20)34-18-8-6-17(33-5)7-9-18/h6-11,15-16,31H,12-14H2,1-5H3/p+1