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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC[NH+](CC1CC1)CC2=C(C=CC3=C2OC(=C(C3=O)OC4=CC=C(C=C4)C(=O)OCC)C(F)(F)F)O

Isomeric SMILES

CCC[NH+](CC1CC1)CC2=C(C=CC3=C2OC(=C(C3=O)OC4=CC=C(C=C4)C(=O)OCC)C(F)(F)F)O

InChI

InChI=1S/C27H28F3NO6/c1-3-13-31(14-16-5-6-16)15-20-21(32)12-11-19-22(33)24(25(27(28,29)30)37-23(19)20)36-18-9-7-17(8-10-18)26(34)35-4-2/h7-12,16,32H,3-6,13-15H2,1-2H3/p+1