[7-oxidanyl-4-oxidanylidene-2-(trifluoromethyl)-3-(2,3,5-trimethylphenoxy)chromen-8-yl]methyl-dipropyl-azanium

Systemtic Name: [7-oxidanyl-4-oxidanylidene-2-(trifluoromethyl)-3-(2,3,5-trimethylphenoxy)chromen-8-yl]methyl-dipropyl-azanium Openeye Name: [7-hydroxy-4-oxo-2-(trifluoromethyl)-3-(2,3,5-trimethylphenoxy)chromen-8-yl]methyl-dipropyl-ammonium CAS Name: [7-hydroxy-4-oxo-2-(trifluoromethyl)-3-(2,3,5-trimethylphenoxy)-1-benzopyran-8-yl]methyl-dipropylammonium IUPAC Name: [7-hydroxy-4-oxo-2-(trifluoromethyl)-3-(2,3,5-trimethylphenoxy)chromen-8-yl]methyl-dipropylazanium Traditional Name: [7-hydroxy-4-keto-2-(trifluoromethyl)-3-(2,3,5-trimethylphenoxy)chromen-8-yl]methyl-dipropyl-ammonium Formula: C26H31F3NO4+ MolecularWeight: 478.52385

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Descriptors Computed from Structure

Canonical SMILES:

CCC[NH+](CCC)CC1=C(C=CC2=C1OC(=C(C2=O)OC3=CC(=CC(=C3C)C)C)C(F)(F)F)O

Isomeric SMILES

CCC[NH+](CCC)CC1=C(C=CC2=C1OC(=C(C2=O)OC3=CC(=CC(=C3C)C)C)C(F)(F)F)O

InChI

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