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

Systemtic Name: cyclohexyl-[[3-(2,5-dimethylphenoxy)-7-oxidanyl-4-oxidanylidene-2-(trifluoromethyl)chromen-8-yl]methyl]-methyl-azanium Openeye Name: cyclohexyl-[[3-(2,5-dimethylphenoxy)-7-hydroxy-4-oxo-2-(trifluoromethyl)chromen-8-yl]methyl]-methyl-ammonium CAS Name: cyclohexyl-[[3-(2,5-dimethylphenoxy)-7-hydroxy-4-oxo-2-(trifluoromethyl)-1-benzopyran-8-yl]methyl]-methylammonium IUPAC Name: cyclohexyl-[[3-(2,5-dimethylphenoxy)-7-hydroxy-4-oxo-2-(trifluoromethyl)chromen-8-yl]methyl]-methylazanium Traditional Name: cyclohexyl-[[3-(2,5-dimethylphenoxy)-7-hydroxy-4-keto-2-(trifluoromethyl)chromen-8-yl]methyl]-methyl-ammonium Formula: C26H29F3NO4+ MolecularWeight: 476.50797

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)OC2=C(OC3=C(C2=O)C=CC(=C3C[NH+](C)C4CCCCC4)O)C(F)(F)F

Isomeric SMILES

CC1=CC(=C(C=C1)C)OC2=C(OC3=C(C2=O)C=CC(=C3C[NH+](C)C4CCCCC4)O)C(F)(F)F

InChI

InChI=1S/C26H28F3NO4/c1-15-9-10-16(2)21(13-15)33-24-22(32)18-11-12-20(31)19(23(18)34-25(24)26(27,28)29)14-30(3)17-7-5-4-6-8-17/h9-13,17,31H,4-8,14H2,1-3H3/p+1