1,1,1-tris(fluoranyl)heptan-2-yl 4-(4-hydroxyphenyl)carbonylbenzoate

Systemtic Name: 1,1,1-tris(fluoranyl)heptan-2-yl 4-(4-hydroxyphenyl)carbonylbenzoate Openeye Name: 1-(trifluoromethyl)hexyl 4-(4-hydroxybenzoyl)benzoate CAS Name: 4-[(4-hydroxyphenyl)-oxomethyl]benzoic acid 1,1,1-trifluoroheptan-2-yl ester IUPAC Name: 1,1,1-trifluoroheptan-2-yl 4-(4-hydroxybenzoyl)benzoate Traditional Name: 4-(4-hydroxybenzoyl)benzoic acid 1-(trifluoromethyl)hexyl ester Formula: C21H21F3O4 MolecularWeight: 394.38425

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H21F3O4/c1-2-3-4-5-18(21(22,23)24)28-20(27)16-8-6-14(7-9-16)19(26)15-10-12-17(25)13-11-15/h6-13,18,25H,2-5H2,1H3