4-[2-(12-phosphonododecanoylamino)-5-(trifluoromethyl)thiophen-3-yl]oxybutanoic acid

Systemtic Name: 4-[2-(12-phosphonododecanoylamino)-5-(trifluoromethyl)thiophen-3-yl]oxybutanoic acid Openeye Name: 4-[[2-(12-phosphonododecanoylamino)-5-(trifluoromethyl)-3-thienyl]oxy]butanoic acid CAS Name: 4-[[2-[(1-oxo-12-phosphonododecyl)amino]-5-(trifluoromethyl)-3-thiophenyl]oxy]butanoic acid IUPAC Name: 4-[2-(12-phosphonododecanoylamino)-5-(trifluoromethyl)thiophen-3-yl]oxybutanoic acid Traditional Name: 4-[[2-(12-phosphonododecanoylamino)-5-(trifluoromethyl)-3-thienyl]oxy]butyric acid Formula: C21H33F3NO7PS MolecularWeight: 531.523191

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Descriptors Computed from Structure

Canonical SMILES:

C1=C(SC(=C1OCCCC(=O)O)NC(=O)CCCCCCCCCCCP(=O)(O)O)C(F)(F)F

Isomeric SMILES

C1=C(SC(=C1OCCCC(=O)O)NC(=O)CCCCCCCCCCCP(=O)(O)O)C(F)(F)F

InChI

InChI=1S/C21H33F3NO7PS/c22-21(23,24)17-15-16(32-13-10-12-19(27)28)20(34-17)25-18(26)11-8-6-4-2-1-3-5-7-9-14-33(29,30)31/h15H,1-14H2,(H,25,26)(H,27,28)(H2,29,30,31)