ethyl 4-[2,2,3,3,4,4,5,5,6,6,7,7-dodecakis(fluoranyl)heptanoylamino]benzoate

Systemtic Name: ethyl 4-[2,2,3,3,4,4,5,5,6,6,7,7-dodecakis(fluoranyl)heptanoylamino]benzoate Openeye Name: ethyl 4-(2,2,3,3,4,4,5,5,6,6,7,7-dodecafluoroheptanoylamino)benzoate CAS Name: 4-[(2,2,3,3,4,4,5,5,6,6,7,7-dodecafluoro-1-oxoheptyl)amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-(2,2,3,3,4,4,5,5,6,6,7,7-dodecafluoroheptanoylamino)benzoate Traditional Name: 4-(2,2,3,3,4,4,5,5,6,6,7,7-dodecafluoroheptanoylamino)benzoic acid ethyl ester Formula: C16H11F12NO3 MolecularWeight: 493.244278

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NC(=O)C(C(C(C(C(C(F)F)(F)F)(F)F)(F)F)(F)F)(F)F

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC(=O)C(C(C(C(C(C(F)F)(F)F)(F)F)(F)F)(F)F)(F)F

InChI

InChI=1S/C16H11F12NO3/c1-2-32-9(30)7-3-5-8(6-4-7)29-11(31)13(21,22)15(25,26)16(27,28)14(23,24)12(19,20)10(17)18/h3-6,10H,2H2,1H3,(H,29,31)