[3-(4-decoxyphenyl)isochromen-1-ylidene]-dimethyl-azanium; tris(fluoranyl)methanesulfonate

Systemtic Name: [3-(4-decoxyphenyl)isochromen-1-ylidene]-dimethyl-azanium; tris(fluoranyl)methanesulfonate Openeye Name: [3-(4-decoxyphenyl)isochromen-1-ylidene]-dimethyl-ammonium; trifluoromethanesulfonate CAS Name: [3-(4-decoxyphenyl)-2-benzopyran-1-ylidene]-dimethylammonium; trifluoromethanesulfonate IUPAC Name: [3-(4-decoxyphenyl)isochromen-1-ylidene]-dimethylazanium; trifluoromethanesulfonate Traditional Name: [3-(4-decoxyphenyl)isochromen-1-ylidene]-dimethyl-ammonium triflate Formula: C28H36F3NO5S MolecularWeight: 555.64935

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCOC1=CC=C(C=C1)C2=CC3=CC=CC=C3C(=[N+](C)C)O2.C(F)(F)(F)S(=O)(=O)[O-]

Isomeric SMILES

CCCCCCCCCCOC1=CC=C(C=C1)C2=CC3=CC=CC=C3C(=[N+](C)C)O2.C(F)(F)(F)S(=O)(=O)[O-]

InChI

InChI=1S/C27H36NO2.CHF3O3S/c1-4-5-6-7-8-9-10-13-20-29-24-18-16-22(17-19-24)26-21-23-14-11-12-15-25(23)27(30-26)28(2)3;2-1(3,4)8(5,6)7/h11-12,14-19,21H,4-10,13,20H2,1-3H3;(H,5,6,7)/q+1;/p-1