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

Systemtic Name: sodium (Z)-[1-(5-tert-butyl-2-dodecoxy-4-hexadecoxy-phenyl)-5-oxidanylidene-2-(trifluoromethyl)imidazol-4-ylidene]methanolate Openeye Name: sodium (Z)-[1-(5-tert-butyl-2-dodecoxy-4-hexadecoxy-phenyl)-5-oxo-2-(trifluoromethyl)imidazol-4-ylidene]methanolate CAS Name: sodium (Z)-[1-(5-tert-butyl-2-dodecoxy-4-hexadecoxyphenyl)-5-oxo-2-(trifluoromethyl)-4-imidazolylidene]methanolate IUPAC Name: sodium (Z)-[1-(5-tert-butyl-2-dodecoxy-4-hexadecoxyphenyl)-5-oxo-2-(trifluoromethyl)imidazol-4-ylidene]methanolate Traditional Name: sodium (Z)-[1-(5-tert-butyl-4-cetyloxy-2-lauryloxy-phenyl)-5-keto-2-(trifluoromethyl)-2-imidazolin-4-ylidene]methanolate Formula: C43H70F3N2NaO4 MolecularWeight: 759.01188

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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)OCCCCCCCCCCCC.[Na+]

Isomeric SMILES

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

InChI

InChI=1S/C43H71F3N2O4.Na/c1-6-8-10-12-14-16-18-19-20-21-23-24-26-28-30-51-38-33-39(52-31-29-27-25-22-17-15-13-11-9-7-2)37(32-35(38)42(3,4)5)48-40(50)36(34-49)47-41(48)43(44,45)46;/h32-34,49H,6-31H2,1-5H3;/q;+1/p-1/b36-34-;