1,1,1-tris(fluoranyl)heptan-2-yl 3-ethoxy-4-(4-hydroxyphenyl)benzoate

Systemtic Name: 1,1,1-tris(fluoranyl)heptan-2-yl 3-ethoxy-4-(4-hydroxyphenyl)benzoate Openeye Name: 1-(trifluoromethyl)hexyl 3-ethoxy-4-(4-hydroxyphenyl)benzoate CAS Name: 3-ethoxy-4-(4-hydroxyphenyl)benzoic acid 1,1,1-trifluoroheptan-2-yl ester IUPAC Name: 1,1,1-trifluoroheptan-2-yl 3-ethoxy-4-(4-hydroxyphenyl)benzoate Traditional Name: 3-ethoxy-4-(4-hydroxyphenyl)benzoic acid 1-(trifluoromethyl)hexyl ester Formula: C22H25F3O4 MolecularWeight: 410.42671

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(C(F)(F)F)OC(=O)C1=CC(=C(C=C1)C2=CC=C(C=C2)O)OCC

Isomeric SMILES

CCCCCC(C(F)(F)F)OC(=O)C1=CC(=C(C=C1)C2=CC=C(C=C2)O)OCC

InChI

InChI=1S/C22H25F3O4/c1-3-5-6-7-20(22(23,24)25)29-21(27)16-10-13-18(19(14-16)28-4-2)15-8-11-17(26)12-9-15/h8-14,20,26H,3-7H2,1-2H3