lithium (E)-[1-(4-hexadecoxy-2-methoxy-5-methyl-phenyl)-5-oxidanylidene-2-(trifluoromethyl)imidazol-4-ylidene]methanolate

Systemtic Name: lithium (E)-[1-(4-hexadecoxy-2-methoxy-5-methyl-phenyl)-5-oxidanylidene-2-(trifluoromethyl)imidazol-4-ylidene]methanolate Openeye Name: lithium (E)-[1-(4-hexadecoxy-2-methoxy-5-methyl-phenyl)-5-oxo-2-(trifluoromethyl)imidazol-4-ylidene]methanolate CAS Name: lithium (E)-[1-(4-hexadecoxy-2-methoxy-5-methylphenyl)-5-oxo-2-(trifluoromethyl)-4-imidazolylidene]methanolate IUPAC Name: lithium (E)-[1-(4-hexadecoxy-2-methoxy-5-methylphenyl)-5-oxo-2-(trifluoromethyl)imidazol-4-ylidene]methanolate Traditional Name: lithium (E)-[1-(4-cetyloxy-2-methoxy-5-methyl-phenyl)-5-keto-2-(trifluoromethyl)-2-imidazolin-4-ylidene]methanolate Formula: C29H42F3LiN2O4 MolecularWeight: 546.59099

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Descriptors Computed from Structure

Canonical SMILES:

[Li+].CCCCCCCCCCCCCCCCOC1=CC(=C(C=C1C)N2C(=O)C(=C[O-])N=C2C(F)(F)F)OC

Isomeric SMILES

[Li+].CCCCCCCCCCCCCCCCOC1=CC(=C(C=C1C)N2C(=O)/C(=C\[O-])/N=C2C(F)(F)F)OC

InChI

InChI=1S/C29H43F3N2O4.Li/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-38-25-20-26(37-3)24(19-22(25)2)34-27(36)23(21-35)33-28(34)29(30,31)32;/h19-21,35H,4-18H2,1-3H3;/q;+1/p-1/b23-21+;