sodium (Z)-[1-octadecyl-3-oxidanylidene-6-(trifluoromethyl)indol-2-ylidene]methanolate

Systemtic Name: sodium (Z)-[1-octadecyl-3-oxidanylidene-6-(trifluoromethyl)indol-2-ylidene]methanolate Openeye Name: sodium (Z)-[1-octadecyl-3-oxo-6-(trifluoromethyl)indolin-2-ylidene]methanolate CAS Name: sodium (Z)-[1-octadecyl-3-oxo-6-(trifluoromethyl)-2-indolylidene]methanolate IUPAC Name: sodium (Z)-[1-octadecyl-3-oxo-6-(trifluoromethyl)indol-2-ylidene]methanolate Traditional Name: sodium (Z)-[3-keto-1-stearyl-6-(trifluoromethyl)indolin-2-ylidene]methanolate Formula: C28H41F3NNaO2 MolecularWeight: 503.61562

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCN1C2=C(C=CC(=C2)C(F)(F)F)C(=O)C1=C[O-].[Na+]

Isomeric SMILES

CCCCCCCCCCCCCCCCCCN\1C2=C(C=CC(=C2)C(F)(F)F)C(=O)/C1=C/[O-].[Na+]

InChI

InChI=1S/C28H42F3NO2.Na/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20-32-25-21-23(28(29,30)31)18-19-24(25)27(34)26(32)22-33;/h18-19,21-22,33H,2-17,20H2,1H3;/q;+1/p-1/b26-22-;