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

Systemtic Name: sodium (Z)-[1-(2-octadecoxyphenyl)-5-oxidanylidene-2-(trifluoromethyl)imidazol-4-ylidene]methanolate Openeye Name: sodium (Z)-[1-(2-octadecoxyphenyl)-5-oxo-2-(trifluoromethyl)imidazol-4-ylidene]methanolate CAS Name: sodium (Z)-[1-(2-octadecoxyphenyl)-5-oxo-2-(trifluoromethyl)-4-imidazolylidene]methanolate IUPAC Name: sodium (Z)-[1-(2-octadecoxyphenyl)-5-oxo-2-(trifluoromethyl)imidazol-4-ylidene]methanolate Traditional Name: sodium (Z)-[5-keto-1-(2-stearyloxyphenyl)-2-(trifluoromethyl)-2-imidazolin-4-ylidene]methanolate Formula: C29H42F3N2NaO3 MolecularWeight: 546.64036

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCOC1=CC=CC=C1N2C(=O)C(=C[O-])N=C2C(F)(F)F.[Na+]

Isomeric SMILES

CCCCCCCCCCCCCCCCCCOC1=CC=CC=C1N2C(=O)/C(=C/[O-])/N=C2C(F)(F)F.[Na+]

InChI

InChI=1S/C29H43F3N2O3.Na/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-19-22-37-26-21-18-17-20-25(26)34-27(36)24(23-35)33-28(34)29(30,31)32;/h17-18,20-21,23,35H,2-16,19,22H2,1H3;/q;+1/p-1/b24-23-;