cesium (Z)-[1-(4-hexadecylphenyl)-5-oxidanylidene-2-(trifluoromethyl)imidazol-4-ylidene]methanolate

Systemtic Name: cesium (Z)-[1-(4-hexadecylphenyl)-5-oxidanylidene-2-(trifluoromethyl)imidazol-4-ylidene]methanolate Openeye Name: cesium (Z)-[1-(4-hexadecylphenyl)-5-oxo-2-(trifluoromethyl)imidazol-4-ylidene]methanolate CAS Name: cesium (Z)-[1-(4-hexadecylphenyl)-5-oxo-2-(trifluoromethyl)-4-imidazolylidene]methanolate IUPAC Name: cesium (Z)-[1-(4-hexadecylphenyl)-5-oxo-2-(trifluoromethyl)imidazol-4-ylidene]methanolate Traditional Name: cesium (Z)-[1-(4-cetylphenyl)-5-keto-2-(trifluoromethyl)-2-imidazolin-4-ylidene]methanolate Formula: C27H38CsF3N2O2 MolecularWeight: 612.50348

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCC1=CC=C(C=C1)N2C(=O)C(=C[O-])N=C2C(F)(F)F.[Cs+]

Isomeric SMILES

CCCCCCCCCCCCCCCCC1=CC=C(C=C1)N2C(=O)/C(=C/[O-])/N=C2C(F)(F)F.[Cs+]

InChI

InChI=1S/C27H39F3N2O2.Cs/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-22-17-19-23(20-18-22)32-25(34)24(21-33)31-26(32)27(28,29)30;/h17-21,33H,2-16H2,1H3;/q;+1/p-1/b24-21-;