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

Systemtic Name: lithium (E)-[1-(4-hexadecoxy-2-propoxy-phenyl)-5-oxidanylidene-2-(trifluoromethyl)imidazol-4-ylidene]methanolate Openeye Name: lithium (E)-[1-(4-hexadecoxy-2-propoxy-phenyl)-5-oxo-2-(trifluoromethyl)imidazol-4-ylidene]methanolate CAS Name: lithium (E)-[1-(4-hexadecoxy-2-propoxyphenyl)-5-oxo-2-(trifluoromethyl)-4-imidazolylidene]methanolate IUPAC Name: lithium (E)-[1-(4-hexadecoxy-2-propoxyphenyl)-5-oxo-2-(trifluoromethyl)imidazol-4-ylidene]methanolate Traditional Name: lithium (E)-[1-(4-cetyloxy-2-propoxy-phenyl)-5-keto-2-(trifluoromethyl)-2-imidazolin-4-ylidene]methanolate Formula: C30H44F3LiN2O4 MolecularWeight: 560.61757

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

[Li+].CCCCCCCCCCCCCCCCOC1=CC(=C(C=C1)N2C(=O)C(=C[O-])N=C2C(F)(F)F)OCCC

Isomeric SMILES

[Li+].CCCCCCCCCCCCCCCCOC1=CC(=C(C=C1)N2C(=O)/C(=C\[O-])/N=C2C(F)(F)F)OCCC

InChI

InChI=1S/C30H45F3N2O4.Li/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-21-38-24-18-19-26(27(22-24)39-20-4-2)35-28(37)25(23-36)34-29(35)30(31,32)33;/h18-19,22-23,36H,3-17,20-21H2,1-2H3;/q;+1/p-1/b25-23+;