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

Systemtic Name: sodium (Z)-[1-(5-tert-butyl-4-hexadecoxy-2-propan-2-yloxy-phenyl)-5-oxidanylidene-2-(trifluoromethyl)imidazol-4-ylidene]methanolate Openeye Name: sodium (Z)-[1-(5-tert-butyl-4-hexadecoxy-2-isopropoxy-phenyl)-5-oxo-2-(trifluoromethyl)imidazol-4-ylidene]methanolate CAS Name: sodium (Z)-[1-(5-tert-butyl-4-hexadecoxy-2-propan-2-yloxyphenyl)-5-oxo-2-(trifluoromethyl)-4-imidazolylidene]methanolate IUPAC Name: sodium (Z)-[1-(5-tert-butyl-4-hexadecoxy-2-propan-2-yloxyphenyl)-5-oxo-2-(trifluoromethyl)imidazol-4-ylidene]methanolate Traditional Name: sodium (Z)-[1-(5-tert-butyl-4-cetyloxy-2-isopropoxy-phenyl)-5-keto-2-(trifluoromethyl)-2-imidazolin-4-ylidene]methanolate Formula: C34H52F3N2NaO4 MolecularWeight: 632.77266

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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(C)C.[Na+]

Isomeric SMILES

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

InChI

InChI=1S/C34H53F3N2O4.Na/c1-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-42-29-23-30(43-25(2)3)28(22-26(29)33(4,5)6)39-31(41)27(24-40)38-32(39)34(35,36)37;/h22-25,40H,7-21H2,1-6H3;/q;+1/p-1/b27-24-;