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

Systemtic Name: [3-(4-ethylphenoxy)-7-oxidanyl-4-oxidanylidene-2-(trifluoromethyl)chromen-8-yl]methyl-bis(2-methylpropyl)azanium Openeye Name: [3-(4-ethylphenoxy)-7-hydroxy-4-oxo-2-(trifluoromethyl)chromen-8-yl]methyl-diisobutyl-ammonium CAS Name: [3-(4-ethylphenoxy)-7-hydroxy-4-oxo-2-(trifluoromethyl)-1-benzopyran-8-yl]methyl-bis(2-methylpropyl)ammonium IUPAC Name: [3-(4-ethylphenoxy)-7-hydroxy-4-oxo-2-(trifluoromethyl)chromen-8-yl]methyl-bis(2-methylpropyl)azanium Traditional Name: [3-(4-ethylphenoxy)-7-hydroxy-4-keto-2-(trifluoromethyl)chromen-8-yl]methyl-diisobutyl-ammonium Formula: C27H33F3NO4+ MolecularWeight: 492.55043

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)OC2=C(OC3=C(C2=O)C=CC(=C3C[NH+](CC(C)C)CC(C)C)O)C(F)(F)F

Isomeric SMILES

CCC1=CC=C(C=C1)OC2=C(OC3=C(C2=O)C=CC(=C3C[NH+](CC(C)C)CC(C)C)O)C(F)(F)F

InChI

InChI=1S/C27H32F3NO4/c1-6-18-7-9-19(10-8-18)34-25-23(33)20-11-12-22(32)21(24(20)35-26(25)27(28,29)30)15-31(13-16(2)3)14-17(4)5/h7-12,16-17,32H,6,13-15H2,1-5H3/p+1