(2,3-dicyano-4-octoxy-phenyl) 4-[2,2,3,3,4,4,4-heptakis(fluoranyl)butoxy]benzoate

Systemtic Name: (2,3-dicyano-4-octoxy-phenyl) 4-[2,2,3,3,4,4,4-heptakis(fluoranyl)butoxy]benzoate Openeye Name: (2,3-dicyano-4-octoxy-phenyl) 4-(2,2,3,3,4,4,4-heptafluorobutoxy)benzoate CAS Name: 4-(2,2,3,3,4,4,4-heptafluorobutoxy)benzoic acid (2,3-dicyano-4-octoxyphenyl) ester IUPAC Name: (2,3-dicyano-4-octoxyphenyl) 4-(2,2,3,3,4,4,4-heptafluorobutoxy)benzoate Traditional Name: 4-(2,2,3,3,4,4,4-heptafluorobutoxy)benzoic acid (2,3-dicyano-4-octoxy-phenyl) ester Formula: C27H25F7N2O4 MolecularWeight: 574.487222

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC1=C(C(=C(C=C1)OC(=O)C2=CC=C(C=C2)OCC(C(C(F)(F)F)(F)F)(F)F)C#N)C#N

Isomeric SMILES

CCCCCCCCOC1=C(C(=C(C=C1)OC(=O)C2=CC=C(C=C2)OCC(C(C(F)(F)F)(F)F)(F)F)C#N)C#N

InChI

InChI=1S/C27H25F7N2O4/c1-2-3-4-5-6-7-14-38-22-12-13-23(21(16-36)20(22)15-35)40-24(37)18-8-10-19(11-9-18)39-17-25(28,29)26(30,31)27(32,33)34/h8-13H,2-7,14,17H2,1H3