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

Systemtic Name: sodium (Z)-[1-(5-tert-butyl-4-hexadecoxy-2-methoxy-phenyl)-5-oxidanylidene-2-(trifluoromethyl)imidazol-4-ylidene]methanolate Openeye Name: sodium (Z)-[1-(5-tert-butyl-4-hexadecoxy-2-methoxy-phenyl)-5-oxo-2-(trifluoromethyl)imidazol-4-ylidene]methanolate CAS Name: sodium (Z)-[1-(5-tert-butyl-4-hexadecoxy-2-methoxyphenyl)-5-oxo-2-(trifluoromethyl)-4-imidazolylidene]methanolate IUPAC Name: sodium (Z)-[1-(5-tert-butyl-4-hexadecoxy-2-methoxyphenyl)-5-oxo-2-(trifluoromethyl)imidazol-4-ylidene]methanolate Traditional Name: sodium (Z)-[1-(5-tert-butyl-4-cetyloxy-2-methoxy-phenyl)-5-keto-2-(trifluoromethyl)-2-imidazolin-4-ylidene]methanolate Formula: C32H48F3N2NaO4 MolecularWeight: 604.7195

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C32H49F3N2O4.Na/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-41-27-22-28(40-5)26(21-24(27)31(2,3)4)37-29(39)25(23-38)36-30(37)32(33,34)35;/h21-23,38H,6-20H2,1-5H3;/q;+1/p-1/b25-23-;