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

Systemtic Name: cyclohexyl-[[3-(4-ethoxycarbonylphenoxy)-7-oxidanyl-4-oxidanylidene-2-(trifluoromethyl)chromen-8-yl]methyl]-methyl-azanium Openeye Name: cyclohexyl-[[3-(4-ethoxycarbonylphenoxy)-7-hydroxy-4-oxo-2-(trifluoromethyl)chromen-8-yl]methyl]-methyl-ammonium CAS Name: cyclohexyl-[[3-(4-ethoxycarbonylphenoxy)-7-hydroxy-4-oxo-2-(trifluoromethyl)-1-benzopyran-8-yl]methyl]-methylammonium IUPAC Name: cyclohexyl-[[3-(4-ethoxycarbonylphenoxy)-7-hydroxy-4-oxo-2-(trifluoromethyl)chromen-8-yl]methyl]-methylazanium Traditional Name: [3-(4-carbethoxyphenoxy)-7-hydroxy-4-keto-2-(trifluoromethyl)chromen-8-yl]methyl-cyclohexyl-methyl-ammonium Formula: C27H29F3NO6+ MolecularWeight: 520.51747

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H28F3NO6/c1-3-35-26(34)16-9-11-18(12-10-16)36-24-22(33)19-13-14-21(32)20(23(19)37-25(24)27(28,29)30)15-31(2)17-7-5-4-6-8-17/h9-14,17,32H,3-8,15H2,1-2H3/p+1