tributan-2-yl 3-[2,2,3,3,4,4,4-heptakis(fluoranyl)butanoylamino]propane-1,1,3-tricarboxylate

Systemtic Name: tributan-2-yl 3-[2,2,3,3,4,4,4-heptakis(fluoranyl)butanoylamino]propane-1,1,3-tricarboxylate Openeye Name: trisec-butyl 3-(2,2,3,3,4,4,4-heptafluorobutanoylamino)propane-1,1,3-tricarboxylate CAS Name: 3-[(2,2,3,3,4,4,4-heptafluoro-1-oxobutyl)amino]propane-1,1,3-tricarboxylic acid tributan-2-yl ester IUPAC Name: tributan-2-yl 3-(2,2,3,3,4,4,4-heptafluorobutanoylamino)propane-1,1,3-tricarboxylate Traditional Name: 3-(2,2,3,3,4,4,4-heptafluorobutanoylamino)propane-1,1,3-tricarboxylic acid trisec-butyl ester Formula: C22H32F7NO7 MolecularWeight: 555.480802

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)OC(=O)C(CC(C(=O)OC(C)CC)NC(=O)C(C(C(F)(F)F)(F)F)(F)F)C(=O)OC(C)CC

Isomeric SMILES

CCC(C)OC(=O)C(CC(C(=O)OC(C)CC)NC(=O)C(C(C(F)(F)F)(F)F)(F)F)C(=O)OC(C)CC

InChI

InChI=1S/C22H32F7NO7/c1-7-11(4)35-16(31)14(17(32)36-12(5)8-2)10-15(18(33)37-13(6)9-3)30-19(34)20(23,24)21(25,26)22(27,28)29/h11-15H,7-10H2,1-6H3,(H,30,34)