sodium (Z)-[1-(5-cyclohexyl-4-hexadecoxy-2-propan-2-yloxy-phenyl)-5-oxidanylidene-2-(trifluoromethyl)imidazol-4-ylidene]methanolate

Systemtic Name: sodium (Z)-[1-(5-cyclohexyl-4-hexadecoxy-2-propan-2-yloxy-phenyl)-5-oxidanylidene-2-(trifluoromethyl)imidazol-4-ylidene]methanolate Openeye Name: sodium (Z)-[1-(5-cyclohexyl-4-hexadecoxy-2-isopropoxy-phenyl)-5-oxo-2-(trifluoromethyl)imidazol-4-ylidene]methanolate CAS Name: sodium (Z)-[1-(5-cyclohexyl-4-hexadecoxy-2-propan-2-yloxyphenyl)-5-oxo-2-(trifluoromethyl)-4-imidazolylidene]methanolate IUPAC Name: sodium (Z)-[1-(5-cyclohexyl-4-hexadecoxy-2-propan-2-yloxyphenyl)-5-oxo-2-(trifluoromethyl)imidazol-4-ylidene]methanolate Traditional Name: sodium (Z)-[1-(4-cetyloxy-5-cyclohexyl-2-isopropoxy-phenyl)-5-keto-2-(trifluoromethyl)-2-imidazolin-4-ylidene]methanolate Formula: C36H54F3N2NaO4 MolecularWeight: 658.80994

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCOC1=CC(=C(C=C1C2CCCCC2)N3C(=O)C(=C[O-])N=C3C(F)(F)F)OC(C)C.[Na+]

Isomeric SMILES

CCCCCCCCCCCCCCCCOC1=CC(=C(C=C1C2CCCCC2)N3C(=O)/C(=C/[O-])/N=C3C(F)(F)F)OC(C)C.[Na+]

InChI

InChI=1S/C36H55F3N2O4.Na/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-20-23-44-32-25-33(45-27(2)3)31(24-29(32)28-21-18-17-19-22-28)41-34(43)30(26-42)40-35(41)36(37,38)39;/h24-28,42H,4-23H2,1-3H3;/q;+1/p-1/b30-26-;