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

Systemtic Name: cyclohexyl-ethyl-[[3-(3-methylphenoxy)-7-oxidanyl-4-oxidanylidene-2-(trifluoromethyl)chromen-8-yl]methyl]azanium Openeye Name: cyclohexyl-ethyl-[[7-hydroxy-3-(3-methylphenoxy)-4-oxo-2-(trifluoromethyl)chromen-8-yl]methyl]ammonium CAS Name: cyclohexyl-ethyl-[[7-hydroxy-3-(3-methylphenoxy)-4-oxo-2-(trifluoromethyl)-1-benzopyran-8-yl]methyl]ammonium IUPAC Name: cyclohexyl-ethyl-[[7-hydroxy-3-(3-methylphenoxy)-4-oxo-2-(trifluoromethyl)chromen-8-yl]methyl]azanium Traditional Name: cyclohexyl-ethyl-[[7-hydroxy-4-keto-3-(3-methylphenoxy)-2-(trifluoromethyl)chromen-8-yl]methyl]ammonium Formula: C26H29F3NO4+ MolecularWeight: 476.50797

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC1=C(C=CC2=C1OC(=C(C2=O)OC3=CC=CC(=C3)C)C(F)(F)F)O)C4CCCCC4

Isomeric SMILES

CC[NH+](CC1=C(C=CC2=C1OC(=C(C2=O)OC3=CC=CC(=C3)C)C(F)(F)F)O)C4CCCCC4

InChI

InChI=1S/C26H28F3NO4/c1-3-30(17-9-5-4-6-10-17)15-20-21(31)13-12-19-22(32)24(25(26(27,28)29)34-23(19)20)33-18-11-7-8-16(2)14-18/h7-8,11-14,17,31H,3-6,9-10,15H2,1-2H3/p+1