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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H30F3NO5/c1-4-6-14-30(15-7-5-2)16-20-21(31)13-12-19-22(32)24(25(26(27,28)29)35-23(19)20)34-18-10-8-17(33-3)9-11-18/h8-13,31H,4-7,14-16H2,1-3H3/p+1