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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC=C(C=C1)OC2=C(OC3=C(C2=O)C=CC(=C3C[NH+](CCC)CCC)O)C(F)(F)F

Isomeric SMILES

CCCC1=CC=C(C=C1)OC2=C(OC3=C(C2=O)C=CC(=C3C[NH+](CCC)CCC)O)C(F)(F)F

InChI

InChI=1S/C26H30F3NO4/c1-4-7-17-8-10-18(11-9-17)33-24-22(32)19-12-13-21(31)20(16-30(14-5-2)15-6-3)23(19)34-25(24)26(27,28)29/h8-13,31H,4-7,14-16H2,1-3H3/p+1