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

Systemtic Name: sodium (Z)-[1-(4-hexadecoxy-2-methoxy-phenyl)-5-oxidanylidene-2-(trifluoromethyl)imidazol-4-ylidene]methanolate Openeye Name: sodium (Z)-[1-(4-hexadecoxy-2-methoxy-phenyl)-5-oxo-2-(trifluoromethyl)imidazol-4-ylidene]methanolate CAS Name: sodium (Z)-[1-(4-hexadecoxy-2-methoxyphenyl)-5-oxo-2-(trifluoromethyl)-4-imidazolylidene]methanolate IUPAC Name: sodium (Z)-[1-(4-hexadecoxy-2-methoxyphenyl)-5-oxo-2-(trifluoromethyl)imidazol-4-ylidene]methanolate Traditional Name: sodium (Z)-[1-(4-cetyloxy-2-methoxy-phenyl)-5-keto-2-(trifluoromethyl)-2-imidazolin-4-ylidene]methanolate Formula: C28H40F3N2NaO4 MolecularWeight: 548.61318

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCCCCCCCCCCCCCCCOC1=CC(=C(C=C1)N2C(=O)/C(=C/[O-])/N=C2C(F)(F)F)OC.[Na+]

InChI

InChI=1S/C28H41F3N2O4.Na/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-19-37-22-17-18-24(25(20-22)36-2)33-26(35)23(21-34)32-27(33)28(29,30)31;/h17-18,20-21,34H,3-16,19H2,1-2H3;/q;+1/p-1/b23-21-;