[3-ethoxy-1,1,1-tris(fluoranyl)propan-2-yl] 4-(4-nonylphenyl)benzoate

Systemtic Name: [3-ethoxy-1,1,1-tris(fluoranyl)propan-2-yl] 4-(4-nonylphenyl)benzoate Openeye Name: [1-(ethoxymethyl)-2,2,2-trifluoro-ethyl] 4-(4-nonylphenyl)benzoate CAS Name: 4-(4-nonylphenyl)benzoic acid (3-ethoxy-1,1,1-trifluoropropan-2-yl) ester IUPAC Name: (3-ethoxy-1,1,1-trifluoropropan-2-yl) 4-(4-nonylphenyl)benzoate Traditional Name: 4-(4-nonylphenyl)benzoic acid [1-(ethoxymethyl)-2,2,2-trifluoro-ethyl] ester Formula: C27H35F3O3 MolecularWeight: 464.56021

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCC1=CC=C(C=C1)C2=CC=C(C=C2)C(=O)OC(COCC)C(F)(F)F

Isomeric SMILES

CCCCCCCCCC1=CC=C(C=C1)C2=CC=C(C=C2)C(=O)OC(COCC)C(F)(F)F

InChI

InChI=1S/C27H35F3O3/c1-3-5-6-7-8-9-10-11-21-12-14-22(15-13-21)23-16-18-24(19-17-23)26(31)33-25(20-32-4-2)27(28,29)30/h12-19,25H,3-11,20H2,1-2H3