methyl 6-[4,4,4-tris(fluoranyl)-3-oxidanylidene-butyl]sulfanylicos-7-ynoate

Systemtic Name: methyl 6-[4,4,4-tris(fluoranyl)-3-oxidanylidene-butyl]sulfanylicos-7-ynoate Openeye Name: methyl 6-(4,4,4-trifluoro-3-oxo-butyl)sulfanylicos-7-ynoate CAS Name: 6-[(4,4,4-trifluoro-3-oxobutyl)thio]-7-eicosynoic acid methyl ester IUPAC Name: methyl 6-(4,4,4-trifluoro-3-oxobutyl)sulfanylicos-7-ynoate Traditional Name: 6-[(4,4,4-trifluoro-3-keto-butyl)thio]eicos-7-ynoic acid methyl ester Formula: C25H41F3O3S MolecularWeight: 478.65145

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCC#CC(CCCCC(=O)OC)SCCC(=O)C(F)(F)F

Isomeric SMILES

CCCCCCCCCCCCC#CC(CCCCC(=O)OC)SCCC(=O)C(F)(F)F

InChI

InChI=1S/C25H41F3O3S/c1-3-4-5-6-7-8-9-10-11-12-13-14-17-22(18-15-16-19-24(30)31-2)32-21-20-23(29)25(26,27)28/h22H,3-13,15-16,18-21H2,1-2H3